2-hydroxy-1-(3-methylphenyl)nonan-1-one

C16H24O2 — CID 70534540

IUPAC2-hydroxy-1-(3-methylphenyl)nonan-1-one
SMILESCCCCCCCC(O)C(=O)c1cccc(C)c1
InChIInChI=1S/C16H24O2/c1-3-4-5-6-7-11-15(17)16(18)14-10-8-9-13(2)12-14/h8-10,12,15,17H,3-7,11H2,1-2H3
InChIKeyZWSJTLRYUJMNTE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.90
Rot. Bonds8

About 2-hydroxy-1-(3-methylphenyl)nonan-1-one

2-hydroxy-1-(3-methylphenyl)nonan-1-one (PubChem CID 70534540) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-hydroxy-1-(3-methylphenyl)nonan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(3-methylphenyl)nonan-1-one
PubChem CID70534540
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-hydroxy-1-(3-methylphenyl)nonan-1-one
SMILESCCCCCCCC(O)C(=O)c1cccc(C)c1
InChIInChI=1S/C16H24O2/c1-3-4-5-6-7-11-15(17)16(18)14-10-8-9-13(2)12-14/h8-10,12,15,17H,3-7,11H2,1-2H3
InChIKeyZWSJTLRYUJMNTE-UHFFFAOYSA-N
XLogP3.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.90
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-dodecyl-1-(3-methylphenyl)butane-1,3-dione
CID 22448169
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
pentadecan-2-yl 3-methylbenzoate
CID 531573
tridecan-5-yl 3-methylbenzoate
CID 531568
tetradecan-4-yl 3-methylbenzoate
CID 531571
2-(3-methylbenzoyl)oxydecanoic acid
CID 22889778
1-(3-methylphenyl)decan-1-ol
CID 63411280
(2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one
CID 102140123
heptadecyl 3-methylbenzoate
CID 530478
3-methyl-N,N-di(undecyl)benzamide
CID 533252
1-(3-chlorophenyl)-2-hydroxypentan-1-one
CID 67470935
2-hydroxy-1-(3-propylphenyl)pentan-1-one
CID 103453885

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3-methylphenyl)nonan-1-one?
The IUPAC name of 2-hydroxy-1-(3-methylphenyl)nonan-1-one (CID 70534540) is 2-hydroxy-1-(3-methylphenyl)nonan-1-one.
What is the SMILES notation for 2-hydroxy-1-(3-methylphenyl)nonan-1-one?
The canonical SMILES for 2-hydroxy-1-(3-methylphenyl)nonan-1-one is CCCCCCCC(O)C(=O)c1cccc(C)c1.
What is the InChIKey of 2-hydroxy-1-(3-methylphenyl)nonan-1-one?
The InChIKey is ZWSJTLRYUJMNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-4-5-6-7-11-15(17)16(18)14-10-8-9-13(2)12-14/h8-10,12,15,17H,3-7,11H2,1-2H3.
What are the key properties of 2-hydroxy-1-(3-methylphenyl)nonan-1-one?
2-hydroxy-1-(3-methylphenyl)nonan-1-one has a molecular weight of 248.37 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3-methylphenyl)nonan-1-one is sourced from PubChem (CID 70534540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).