3-hydroxy-1-phenylnonan-4-one

C15H22O2 — CID 135039078

IUPAC3-hydroxy-1-phenylnonan-4-one
SMILESCCCCCC(=O)C(O)CCc1ccccc1
InChIInChI=1S/C15H22O2/c1-2-3-5-10-14(16)15(17)12-11-13-8-6-4-7-9-13/h4,6-9,15,17H,2-3,5,10-12H2,1H3
InChIKeyBRIBQQSDCPRMNT-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.13
Rot. Bonds8

About 3-hydroxy-1-phenylnonan-4-one

3-hydroxy-1-phenylnonan-4-one (PubChem CID 135039078) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-hydroxy-1-phenylnonan-4-one.

Molecular Properties

Compound Name3-hydroxy-1-phenylnonan-4-one
PubChem CID135039078
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-hydroxy-1-phenylnonan-4-one
SMILESCCCCCC(=O)C(O)CCc1ccccc1
InChIInChI=1S/C15H22O2/c1-2-3-5-10-14(16)15(17)12-11-13-8-6-4-7-9-13/h4,6-9,15,17H,2-3,5,10-12H2,1H3
InChIKeyBRIBQQSDCPRMNT-UHFFFAOYSA-N
XLogP3.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.13
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

(3S)-3-methyl-1-phenylpentadecan-4-one
CID 158218990
(3S)-3-methyl-1-phenyltridecan-4-one
CID 157198847
methyl 3-oxo-2-(2-phenylethyl)octanoate
CID 18370999
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
(4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol
CID 134931871
4-hydroxy-1-phenylhexan-3-one
CID 103453087
N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
2-amino-1-phenyldecan-3-one;hydrochloride
CID 3073894
(4S)-4-methyl-1-phenyldecan-3-one
CID 134925721
carbonic acid;pentylbenzene
CID 157127683
(9S)-9-hydroxyhexadecan-8-one
CID 97045447
15-hydroxyoctacosan-14-one
CID 11270216

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-phenylnonan-4-one?
The IUPAC name of 3-hydroxy-1-phenylnonan-4-one (CID 135039078) is 3-hydroxy-1-phenylnonan-4-one.
What is the SMILES notation for 3-hydroxy-1-phenylnonan-4-one?
The canonical SMILES for 3-hydroxy-1-phenylnonan-4-one is CCCCCC(=O)C(O)CCc1ccccc1.
What is the InChIKey of 3-hydroxy-1-phenylnonan-4-one?
The InChIKey is BRIBQQSDCPRMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-3-5-10-14(16)15(17)12-11-13-8-6-4-7-9-13/h4,6-9,15,17H,2-3,5,10-12H2,1H3.
What are the key properties of 3-hydroxy-1-phenylnonan-4-one?
3-hydroxy-1-phenylnonan-4-one has a molecular weight of 234.34 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-phenylnonan-4-one is sourced from PubChem (CID 135039078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).