1,1-diphenyltetradecan-3-ol

C26H38O — CID 102298194

IUPAC1,1-diphenyltetradecan-3-ol
SMILESCCCCCCCCCCCC(O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38O/c1-2-3-4-5-6-7-8-9-16-21-25(27)22-26(23-17-12-10-13-18-23)24-19-14-11-15-20-24/h10-15,17-20,25-27H,2-9,16,21-22H2,1H3
InChIKeyCJSHHULAWBYIHZ-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.49
Rot. Bonds14

About 1,1-diphenyltetradecan-3-ol

1,1-diphenyltetradecan-3-ol (PubChem CID 102298194) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 1,1-diphenyltetradecan-3-ol.

Molecular Properties

Compound Name1,1-diphenyltetradecan-3-ol
PubChem CID102298194
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name1,1-diphenyltetradecan-3-ol
SMILESCCCCCCCCCCCC(O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38O/c1-2-3-4-5-6-7-8-9-16-21-25(27)22-26(23-17-12-10-13-18-23)24-19-14-11-15-20-24/h10-15,17-20,25-27H,2-9,16,21-22H2,1H3
InChIKeyCJSHHULAWBYIHZ-UHFFFAOYSA-N
XLogP7.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.49
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

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1-nitroso-1-phenyldecan-3-ol
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(1R,5S)-1-phenyldecane-1,5-diol
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(3-methyl-1-phenyldodecyl)benzene
CID 91396098
10-hydroxy-2-phenyloctadecanoic acid
CID 67642354
1-phenylsulfanylundecan-2-ol
CID 65142065
hentriacontane-14,16-diol
CID 87514654
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
(6S,8S)-heptacosane-6,8-diol
CID 10693038
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyltetradecan-3-ol?
The IUPAC name of 1,1-diphenyltetradecan-3-ol (CID 102298194) is 1,1-diphenyltetradecan-3-ol.
What is the SMILES notation for 1,1-diphenyltetradecan-3-ol?
The canonical SMILES for 1,1-diphenyltetradecan-3-ol is CCCCCCCCCCCC(O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyltetradecan-3-ol?
The InChIKey is CJSHHULAWBYIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-2-3-4-5-6-7-8-9-16-21-25(27)22-26(23-17-12-10-13-18-23)24-19-14-11-15-20-24/h10-15,17-20,25-27H,2-9,16,21-22H2,1H3.
What are the key properties of 1,1-diphenyltetradecan-3-ol?
1,1-diphenyltetradecan-3-ol has a molecular weight of 366.59 g/mol, XLogP of 7.49, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyltetradecan-3-ol is sourced from PubChem (CID 102298194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).