5-phenyltetradecan-5-ol

C20H34O — CID 175223116

IUPAC5-phenyltetradecan-5-ol
SMILESCCCCCCCCCC(O)(CCCC)c1ccccc1
InChIInChI=1S/C20H34O/c1-3-5-7-8-9-10-14-18-20(21,17-6-4-2)19-15-12-11-13-16-19/h11-13,15-16,21H,3-10,14,17-18H2,1-2H3
InChIKeyCJSYRYFRJODWEU-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.21
Rot. Bonds12

About 5-phenyltetradecan-5-ol

5-phenyltetradecan-5-ol (PubChem CID 175223116) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 5-phenyltetradecan-5-ol.

Molecular Properties

Compound Name5-phenyltetradecan-5-ol
PubChem CID175223116
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name5-phenyltetradecan-5-ol
SMILESCCCCCCCCCC(O)(CCCC)c1ccccc1
InChIInChI=1S/C20H34O/c1-3-5-7-8-9-10-14-18-20(21,17-6-4-2)19-15-12-11-13-16-19/h11-13,15-16,21H,3-10,14,17-18H2,1-2H3
InChIKeyCJSYRYFRJODWEU-UHFFFAOYSA-N
XLogP6.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.21
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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CID 175525363
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1,2-diphenylheptan-2-ol
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1-methoxy-2-phenylheptan-2-ol
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5-butylhexadecan-5-ylbenzene
CID 173084700
3-hydroxy-3-phenylheptanamide
CID 11253019
1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol
CID 155206594
15-phenylnonacosan-15-ylbenzene
CID 141310981
4-(2-hydroxy-1-phenylundecan-2-yl)phenol
CID 175286085
1,1-diphenyldodecan-1-amine
CID 19925745
(1-hydroxy-1-phenyltridecyl)-trimethylazanium iodide
CID 22748666
1,1-difluoroheptylbenzene
CID 12070547

Frequently Asked Questions

What is the IUPAC name of 5-phenyltetradecan-5-ol?
The IUPAC name of 5-phenyltetradecan-5-ol (CID 175223116) is 5-phenyltetradecan-5-ol.
What is the SMILES notation for 5-phenyltetradecan-5-ol?
The canonical SMILES for 5-phenyltetradecan-5-ol is CCCCCCCCCC(O)(CCCC)c1ccccc1.
What is the InChIKey of 5-phenyltetradecan-5-ol?
The InChIKey is CJSYRYFRJODWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-3-5-7-8-9-10-14-18-20(21,17-6-4-2)19-15-12-11-13-16-19/h11-13,15-16,21H,3-10,14,17-18H2,1-2H3.
What are the key properties of 5-phenyltetradecan-5-ol?
5-phenyltetradecan-5-ol has a molecular weight of 290.49 g/mol, XLogP of 6.21, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyltetradecan-5-ol is sourced from PubChem (CID 175223116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).