1-phenylheptadecan-1-one

C23H38O — CID 577626

IUPAC1-phenylheptadecan-1-one
SMILESCCCCCCCCCCCCCCCCC(=O)c1ccccc1
InChIInChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(24)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3
InChIKeyVUXIOSYYRVXOOT-UHFFFAOYSA-N
MW330.56 g/mol
LogP7.74
Rot. Bonds16

About 1-phenylheptadecan-1-one

1-phenylheptadecan-1-one (PubChem CID 577626) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is 1-phenylheptadecan-1-one.

Molecular Properties

Compound Name1-phenylheptadecan-1-one
PubChem CID577626
Molecular FormulaC23H38O
Molecular Weight330.56 g/mol
Exact Mass330.29
IUPAC Name1-phenylheptadecan-1-one
SMILESCCCCCCCCCCCCCCCCC(=O)c1ccccc1
InChIInChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(24)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3
InChIKeyVUXIOSYYRVXOOT-UHFFFAOYSA-N
XLogP7.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-phenylpentan-1-one
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1-(4-tetradecanoylphenyl)tetradecan-1-one
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1,15-diphenylpentadecane-1,15-dione
CID 159981687
1-phenylnonane-1,4-dione
CID 570990
1-phenyloctadecane-1,17-dione
CID 70545901
1-phenyldodecane-1,11-dione
CID 13147766
2-phenylacetamide;1-phenylhexan-1-one
CID 174766102
(3-oxo-3-phenylpropyl) octadecanoate
CID 57115638
1-phenylbutan-1-one
CID 10315
1-phenyl-3-sulfanylidenetetradecan-1-one
CID 23346878
3-heptoxy-1-phenylpropan-1-one
CID 116692052
4-pentylsulfonyl-1-phenylbutan-1-one
CID 107764488

Frequently Asked Questions

What is the IUPAC name of 1-phenylheptadecan-1-one?
The IUPAC name of 1-phenylheptadecan-1-one (CID 577626) is 1-phenylheptadecan-1-one.
What is the SMILES notation for 1-phenylheptadecan-1-one?
The canonical SMILES for 1-phenylheptadecan-1-one is CCCCCCCCCCCCCCCCC(=O)c1ccccc1.
What is the InChIKey of 1-phenylheptadecan-1-one?
The InChIKey is VUXIOSYYRVXOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(24)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3.
What are the key properties of 1-phenylheptadecan-1-one?
1-phenylheptadecan-1-one has a molecular weight of 330.56 g/mol, XLogP of 7.74, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylheptadecan-1-one is sourced from PubChem (CID 577626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).