2-hydroxy-1-phenyltetradecan-1-one

C20H32O2 — CID 54171009

IUPAC2-hydroxy-1-phenyltetradecan-1-one
SMILESCCCCCCCCCCCCC(O)C(=O)c1ccccc1
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-19(21)20(22)18-15-12-11-13-16-18/h11-13,15-16,19,21H,2-10,14,17H2,1H3
InChIKeyOVASWTMVDIVZNI-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.54
Rot. Bonds13

About 2-hydroxy-1-phenyltetradecan-1-one

2-hydroxy-1-phenyltetradecan-1-one (PubChem CID 54171009) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 2-hydroxy-1-phenyltetradecan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-phenyltetradecan-1-one
PubChem CID54171009
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name2-hydroxy-1-phenyltetradecan-1-one
SMILESCCCCCCCCCCCCC(O)C(=O)c1ccccc1
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-19(21)20(22)18-15-12-11-13-16-18/h11-13,15-16,19,21H,2-10,14,17H2,1H3
InChIKeyOVASWTMVDIVZNI-UHFFFAOYSA-N
XLogP5.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.54
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-1-(3-methylphenyl)nonan-1-one
CID 70534540
2-pentyl-1-phenylheptan-1-one
CID 67882345
1-phenyl-2-sulfanyldecan-1-one
CID 86186359
(2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one
CID 102140123
2-benzoyldodecanamide
CID 87280750
5-hydroxy-6-oxo-6-phenylhexanoic acid
CID 151820030
2-hexyl-3-(3-hydroxybutyl)-1-phenyloctan-1-one
CID 141148045
benzoic acid;decan-5-ol
CID 71345643
1-hydroxydecyl benzoate
CID 54112556
2-(1-oxo-1-phenylpropan-2-yl)dodecanamide
CID 67128608
(2R)-2-hydroxy-1-phenylhexane-1,5-dione
CID 125485700
3-hydroxy-1-phenyloctan-1-one
CID 11127809

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-phenyltetradecan-1-one?
The IUPAC name of 2-hydroxy-1-phenyltetradecan-1-one (CID 54171009) is 2-hydroxy-1-phenyltetradecan-1-one.
What is the SMILES notation for 2-hydroxy-1-phenyltetradecan-1-one?
The canonical SMILES for 2-hydroxy-1-phenyltetradecan-1-one is CCCCCCCCCCCCC(O)C(=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-1-phenyltetradecan-1-one?
The InChIKey is OVASWTMVDIVZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-19(21)20(22)18-15-12-11-13-16-18/h11-13,15-16,19,21H,2-10,14,17H2,1H3.
What are the key properties of 2-hydroxy-1-phenyltetradecan-1-one?
2-hydroxy-1-phenyltetradecan-1-one has a molecular weight of 304.47 g/mol, XLogP of 5.54, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-phenyltetradecan-1-one is sourced from PubChem (CID 54171009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).