(3S)-1,7-diphenylheptan-3-ol

C19H24O — CID 44560925

IUPAC(3S)-1,7-diphenylheptan-3-ol
SMILESO[C@@H](CCCCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H24O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,9-12,19-20H,7-8,13-16H2/t19-/m0/s1
InChIKeyFITFAFMCWGCVDQ-IBGZPJMESA-N
MW268.40 g/mol
LogP4.39
Rot. Bonds8

About (3S)-1,7-diphenylheptan-3-ol

(3S)-1,7-diphenylheptan-3-ol (PubChem CID 44560925) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is (3S)-1,7-diphenylheptan-3-ol.

Molecular Properties

Compound Name(3S)-1,7-diphenylheptan-3-ol
PubChem CID44560925
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name(3S)-1,7-diphenylheptan-3-ol
SMILESO[C@@H](CCCCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H24O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,9-12,19-20H,7-8,13-16H2/t19-/m0/s1
InChIKeyFITFAFMCWGCVDQ-IBGZPJMESA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.39
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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Frequently Asked Questions

What is the IUPAC name of (3S)-1,7-diphenylheptan-3-ol?
The IUPAC name of (3S)-1,7-diphenylheptan-3-ol (CID 44560925) is (3S)-1,7-diphenylheptan-3-ol.
What is the SMILES notation for (3S)-1,7-diphenylheptan-3-ol?
The canonical SMILES for (3S)-1,7-diphenylheptan-3-ol is O[C@@H](CCCCc1ccccc1)CCc1ccccc1.
What is the InChIKey of (3S)-1,7-diphenylheptan-3-ol?
The InChIKey is FITFAFMCWGCVDQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,9-12,19-20H,7-8,13-16H2/t19-/m0/s1.
What are the key properties of (3S)-1,7-diphenylheptan-3-ol?
(3S)-1,7-diphenylheptan-3-ol has a molecular weight of 268.40 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,7-diphenylheptan-3-ol is sourced from PubChem (CID 44560925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).