1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one

C15H22O2 — CID 15072612

IUPAC1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1ccc(C)cc1O
InChIInChI=1S/C15H22O2/c1-4-6-12(7-5-2)15(17)13-9-8-11(3)10-14(13)16/h8-10,12,16H,4-7H2,1-3H3
InChIKeyUGNBGVYJNLBAFQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.10
Rot. Bonds6

About 1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one

1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one (PubChem CID 15072612) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one
PubChem CID15072612
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1ccc(C)cc1O
InChIInChI=1S/C15H22O2/c1-4-6-12(7-5-2)15(17)13-9-8-11(3)10-14(13)16/h8-10,12,16H,4-7H2,1-3H3
InChIKeyUGNBGVYJNLBAFQ-UHFFFAOYSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide
CID 103528937
2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
CID 68538226
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
N-ethyl-2-hydroxy-N,4-dimethylbenzamide
CID 43243493
1-(2-methylthiophen-3-yl)-2-propylpentan-1-one
CID 102839853
1-(2-fluoro-4-methylphenyl)-2-methylpentan-1-one
CID 107891346
1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one
CID 82988049
1-(2-ethylphenyl)-2-propylpentan-1-one
CID 146006581
1-(2,4-dimethylphenyl)-2-methoxypentan-1-one
CID 116708065
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one
CID 146008841
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one?
The IUPAC name of 1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one (CID 15072612) is 1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one?
The canonical SMILES for 1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one is CCCC(CCC)C(=O)c1ccc(C)cc1O.
What is the InChIKey of 1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one?
The InChIKey is UGNBGVYJNLBAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-6-12(7-5-2)15(17)13-9-8-11(3)10-14(13)16/h8-10,12,16H,4-7H2,1-3H3.
What are the key properties of 1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one?
1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one has a molecular weight of 234.34 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one is sourced from PubChem (CID 15072612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).