C1=CC=C(C=C1)COCCCCCC2=CC(=CC=C2)O
Name: 3-(5-phenylmethoxypentyl)phenol
SMILES: C1=CC=C(C=C1)COCCCCCC2=CC(=CC=C2)O

Molecular Processing

Molecular formula
C18H22O2
Molecular weight
270.37
Exact mass
270.162
XLogP
4.32
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
81.76

Supplementary Information

InChIKey: IBAGBHOKTVHLNC-UHFFFAOYSA-N
Synonyme
3-(benzyloxypentyl)-phenolSCHEMBL8955835IBAGBHOKTVHLNC-UHFFFAOYSA-N
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