1,2-diphenylheptan-2-ol

C19H24O — CID 139785734

IUPAC1,2-diphenylheptan-2-ol
SMILESCCCCCC(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O/c1-2-3-10-15-19(20,18-13-8-5-9-14-18)16-17-11-6-4-7-12-17/h4-9,11-14,20H,2-3,10,15-16H2,1H3
InChIKeyKGRHSHJWGHRYGW-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.70
Rot. Bonds7

About 1,2-diphenylheptan-2-ol

1,2-diphenylheptan-2-ol (PubChem CID 139785734) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1,2-diphenylheptan-2-ol.

Molecular Properties

Compound Name1,2-diphenylheptan-2-ol
PubChem CID139785734
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1,2-diphenylheptan-2-ol
SMILESCCCCCC(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O/c1-2-3-10-15-19(20,18-13-8-5-9-14-18)16-17-11-6-4-7-12-17/h4-9,11-14,20H,2-3,10,15-16H2,1H3
InChIKeyKGRHSHJWGHRYGW-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydroxy-1-phenylundecan-2-yl)phenol
CID 175286085
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
10-phenylnonadecane-1,10-diol
CID 159665017
8-benzylpentadecan-8-ol
CID 13016086
1-(4-methylphenyl)-2-phenylpentan-2-ol
CID 60797697
1-methoxy-2-phenylheptan-2-ol
CID 103465294
1-(4-bromophenyl)-2-phenylpentan-2-ol
CID 60797698
2-benzyl-2-pentylpropanedioic acid
CID 141045476
2,2-diethylundecylbenzene
CID 151975771
(2-chloro-2-nonyldodecyl)benzene
CID 142488701
1-phenylpentane-2,2-diol
CID 56635388

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylheptan-2-ol?
The IUPAC name of 1,2-diphenylheptan-2-ol (CID 139785734) is 1,2-diphenylheptan-2-ol.
What is the SMILES notation for 1,2-diphenylheptan-2-ol?
The canonical SMILES for 1,2-diphenylheptan-2-ol is CCCCCC(O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylheptan-2-ol?
The InChIKey is KGRHSHJWGHRYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-2-3-10-15-19(20,18-13-8-5-9-14-18)16-17-11-6-4-7-12-17/h4-9,11-14,20H,2-3,10,15-16H2,1H3.
What are the key properties of 1,2-diphenylheptan-2-ol?
1,2-diphenylheptan-2-ol has a molecular weight of 268.40 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylheptan-2-ol is sourced from PubChem (CID 139785734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).