3-hydroxy-1-phenylheptadecan-1-one

C23H38O2 — CID 131751843

IUPAC3-hydroxy-1-phenylheptadecan-1-one
SMILESCCCCCCCCCCCCCCC(O)CC(=O)c1ccccc1
InChIInChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)20-23(25)21-17-14-13-15-18-21/h13-15,17-18,22,24H,2-12,16,19-20H2,1H3
InChIKeyACRYOVXDWCIPCZ-UHFFFAOYSA-N
MW346.55 g/mol
LogP6.71
Rot. Bonds16

About 3-hydroxy-1-phenylheptadecan-1-one

3-hydroxy-1-phenylheptadecan-1-one (PubChem CID 131751843) has the molecular formula C23H38O2 and a molecular weight of 346.55 g/mol. Its IUPAC name is 3-hydroxy-1-phenylheptadecan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-phenylheptadecan-1-one
PubChem CID131751843
Molecular FormulaC23H38O2
Molecular Weight346.55 g/mol
Exact Mass346.29
IUPAC Name3-hydroxy-1-phenylheptadecan-1-one
SMILESCCCCCCCCCCCCCCC(O)CC(=O)c1ccccc1
InChIInChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)20-23(25)21-17-14-13-15-18-21/h13-15,17-18,22,24H,2-12,16,19-20H2,1H3
InChIKeyACRYOVXDWCIPCZ-UHFFFAOYSA-N
XLogP6.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.55
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-2-methyl-1-phenylpropan-1-one
CID 81984
alpha-Hydroxyacetophenone
CID 68490
8-Oxo-8-phenyloctanoic acid
CID 298878
2-Hydroxy-1-phenyl-1-propanone
CID 101121
5-Benzoylpentanoic Acid
CID 223595
Dihydroyashabushiketol
CID 10265808
1,7-Diphenyl-6(E)-Hepten-3-One-5-Ol
CID 44559751
10-Oxo-10-phenyldecanoic acid
CID 298877
4,4,4-Trichloro-3-hydroxy-1-phenyl-butan-1-one
CID 299847
Ethyl 2-benzoylbutanoate
CID 319779
7-Oxo-7-phenylheptanoic acid
CID 344830
Hydroxypropiophenone
CID 569605

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-phenylheptadecan-1-one?
The IUPAC name of 3-hydroxy-1-phenylheptadecan-1-one (CID 131751843) is 3-hydroxy-1-phenylheptadecan-1-one.
What is the SMILES notation for 3-hydroxy-1-phenylheptadecan-1-one?
The canonical SMILES for 3-hydroxy-1-phenylheptadecan-1-one is CCCCCCCCCCCCCCC(O)CC(=O)c1ccccc1.
What is the InChIKey of 3-hydroxy-1-phenylheptadecan-1-one?
The InChIKey is ACRYOVXDWCIPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)20-23(25)21-17-14-13-15-18-21/h13-15,17-18,22,24H,2-12,16,19-20H2,1H3.
What are the key properties of 3-hydroxy-1-phenylheptadecan-1-one?
3-hydroxy-1-phenylheptadecan-1-one has a molecular weight of 346.55 g/mol, XLogP of 6.71, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-phenylheptadecan-1-one is sourced from PubChem (CID 131751843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).