15-phenylpentadecane-1,1-diol

C21H36O2 — CID 139927269

IUPAC15-phenylpentadecane-1,1-diol
SMILESOC(O)CCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C21H36O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h11,13-14,17-18,21-23H,1-10,12,15-16,19H2
InChIKeyCTBYWBQMBHMPRT-UHFFFAOYSA-N
MW320.52 g/mol
LogP5.61
Rot. Bonds15

About 15-phenylpentadecane-1,1-diol

15-phenylpentadecane-1,1-diol (PubChem CID 139927269) has the molecular formula C21H36O2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 15-phenylpentadecane-1,1-diol.

Molecular Properties

Compound Name15-phenylpentadecane-1,1-diol
PubChem CID139927269
Molecular FormulaC21H36O2
Molecular Weight320.52 g/mol
Exact Mass320.27
IUPAC Name15-phenylpentadecane-1,1-diol
SMILESOC(O)CCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C21H36O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h11,13-14,17-18,21-23H,1-10,12,15-16,19H2
InChIKeyCTBYWBQMBHMPRT-UHFFFAOYSA-N
XLogP5.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 20544236
4-phenylbutylbenzene
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2-methyl-7-phenylheptan-3-ol
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2-hydroxy-8-phenyloctanamide
CID 66822616
(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol
CID 142718229
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
2-amino-7-phenylheptanoic acid
CID 85132413
triphenyl(11-phenylundecyl)phosphanium
CID 23583359
2,2-dimethyl-8-phenyloctan-4-ol
CID 164840740
4-methyl-8-phenyloctan-3-ol
CID 114334468
hexylbenzene;hydrogen peroxide
CID 90001206

Frequently Asked Questions

What is the IUPAC name of 15-phenylpentadecane-1,1-diol?
The IUPAC name of 15-phenylpentadecane-1,1-diol (CID 139927269) is 15-phenylpentadecane-1,1-diol.
What is the SMILES notation for 15-phenylpentadecane-1,1-diol?
The canonical SMILES for 15-phenylpentadecane-1,1-diol is OC(O)CCCCCCCCCCCCCCc1ccccc1.
What is the InChIKey of 15-phenylpentadecane-1,1-diol?
The InChIKey is CTBYWBQMBHMPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h11,13-14,17-18,21-23H,1-10,12,15-16,19H2.
What are the key properties of 15-phenylpentadecane-1,1-diol?
15-phenylpentadecane-1,1-diol has a molecular weight of 320.52 g/mol, XLogP of 5.61, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenylpentadecane-1,1-diol is sourced from PubChem (CID 139927269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).