1-(4-hydroxyphenyl)-2-methylpentan-3-one

C12H16O2 — CID 66598933

IUPAC1-(4-hydroxyphenyl)-2-methylpentan-3-one
SMILESCCC(=O)C(C)Cc1ccc(O)cc1
InChIInChI=1S/C12H16O2/c1-3-12(14)9(2)8-10-4-6-11(13)7-5-10/h4-7,9,13H,3,8H2,1-2H3
InChIKeyNQBZDZHUQNRQLT-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.55
Rot. Bonds4

About 1-(4-hydroxyphenyl)-2-methylpentan-3-one

1-(4-hydroxyphenyl)-2-methylpentan-3-one (PubChem CID 66598933) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-methylpentan-3-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-methylpentan-3-one
PubChem CID66598933
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(4-hydroxyphenyl)-2-methylpentan-3-one
SMILESCCC(=O)C(C)Cc1ccc(O)cc1
InChIInChI=1S/C12H16O2/c1-3-12(14)9(2)8-10-4-6-11(13)7-5-10/h4-7,9,13H,3,8H2,1-2H3
InChIKeyNQBZDZHUQNRQLT-UHFFFAOYSA-N
XLogP2.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-hydroxyphenyl)-2-methylpentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[4-(methylaminomethyl)phenyl]pentan-3-one
CID 91113602
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916
4-[[4-[2-(4-hydroxyphenyl)ethenyl]phenyl]methyl]heptane-3,5-dione
CID 3007334
CID 59574067
CID 59574067
ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
CID 143996671
1-(3,4-dimethoxyphenyl)-2-methylpentan-3-one
CID 79019340
(3S,4R)-3-[(3S)-4-(4-hydroxyphenyl)-3-methyl-2-oxobutyl]-4-methyloxetan-2-one
CID 160690757
3-methyl-4-[4-(2-methyl-3-oxobutyl)phenyl]butan-2-one
CID 19020081
3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl] 2-methylpropanoate
CID 57233650

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-methylpentan-3-one?
The IUPAC name of 1-(4-hydroxyphenyl)-2-methylpentan-3-one (CID 66598933) is 1-(4-hydroxyphenyl)-2-methylpentan-3-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-methylpentan-3-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-methylpentan-3-one is CCC(=O)C(C)Cc1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-methylpentan-3-one?
The InChIKey is NQBZDZHUQNRQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-12(14)9(2)8-10-4-6-11(13)7-5-10/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-methylpentan-3-one?
1-(4-hydroxyphenyl)-2-methylpentan-3-one has a molecular weight of 192.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-methylpentan-3-one is sourced from PubChem (CID 66598933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).