5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one

C13H18O2 — CID 83922980

IUPAC5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)Cc1ccc(O)c(C)c1
InChIInChI=1S/C13H18O2/c1-9(6-11(3)14)7-12-4-5-13(15)10(2)8-12/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyGRWBEBCQGAZGGB-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.86
Rot. Bonds4

About 5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one

5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one (PubChem CID 83922980) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
PubChem CID83922980
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)Cc1ccc(O)c(C)c1
InChIInChI=1S/C13H18O2/c1-9(6-11(3)14)7-12-4-5-13(15)10(2)8-12/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyGRWBEBCQGAZGGB-UHFFFAOYSA-N
XLogP2.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-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

4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one
CID 58867976
2-amino-3-(4-hydroxy-3-methylphenyl)propanamide
CID 90701123
5-(4-bromophenyl)-4-methylpentan-2-one
CID 64718506
4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol
CID 172761768
5-(3-chlorophenyl)-4-methylpentan-2-one
CID 64721392
2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol
CID 143865960
5-(3,4-diethoxyphenyl)-4-methylpentan-2-one
CID 83923565
4-(2-amino-4-methylpentyl)-2-methylphenol
CID 178163187
(2S)-3-(4-hydroxy-3-methylphenyl)-2-(methylamino)propanoic acid
CID 57173897
4-[(2S)-2-aminopropyl]phenol;(4S)-5-(4-hydroxyphenyl)-4-methylpentan-2-one;hydrochloride
CID 158091851
5-(3,5-dichlorophenyl)-4-methylpentan-2-one
CID 83924807
4-[4-amino-3-(aminomethyl)-2-methylbutyl]-2-methylphenol
CID 83922952

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one?
The IUPAC name of 5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one (CID 83922980) is 5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one?
The canonical SMILES for 5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one is CC(=O)CC(C)Cc1ccc(O)c(C)c1.
What is the InChIKey of 5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one?
The InChIKey is GRWBEBCQGAZGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(6-11(3)14)7-12-4-5-13(15)10(2)8-12/h4-5,8-9,15H,6-7H2,1-3H3.
What are the key properties of 5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one?
5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one has a molecular weight of 206.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 83922980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).