CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)O)C3CCCC3
CAS: 81166-50-9
Name: 2-butyl-6,7-dichloro-2-cyclopentyl-5-hydroxy-3H-inden-1-one
SMILES: CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)O)C3CCCC3

Molecular Processing

Molecular formula
C18H22Cl2O2
Molecular weight
341.28
Exact mass
340.0997
XLogP
5.8
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
90.08

Supplementary Information

InChIKey: JIJIPFXKPNEXKG-UHFFFAOYSA-N
Synonyme
81166-50-92-Butyl-6,7-dichloro-2-cyclopentyl-5-hydroxy-1-indanone2-BUTYL-6,7-DICHLORO-2-CYCLOPENTYL-5-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-ONEMFCD35146293SCHEMBL4947902SCHEMBL29440646JIJIPFXKPNEXKG-UHFFFAOYSA-NSY392362F701922-butyl-6,7-dichloro-2-cyclopentyl-5-hydroxy-indan-1-one2-butyl-6,7-dichloro-2-cyclopentyl-5-hydroxyindan-1-one2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-5-hydroxy-1H-inden-1-one(+) 2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-5-hydroxy-1H-inden-1-one(+)2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-5-hydroxy-1H-inden-1-one(-) 2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-5-hydroxy-1H-inden-1-oneRacemic 2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-5-hydroxy-1H-inden-1-one
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