C1CC2(CCC1(C3=CC=C(C=C3)OCC4=CC=CC=C4)O)OCCO2
Name: 8-(4-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILES: C1CC2(CCC1(C3=CC=C(C=C3)OCC4=CC=CC=C4)O)OCCO2

Molecular Processing

Molecular formula
C21H24O4
Molecular weight
340.42
Exact mass
340.1675
XLogP
3.77
TPSA
47.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
94.22

Supplementary Information

InChIKey: IEPKMFALQMFCRJ-UHFFFAOYSA-N
Synonyme
SCHEMBL5690507IEPKMFALQMFCRJ-UHFFFAOYSA-N8-(4-benzyloxy-phenyl)-1,4-dioxa-spiro[4.5]decan-8-ol
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