2-(3-methoxyphenyl)hexan-3-one

C13H18O2 — CID 83047977

IUPAC2-(3-methoxyphenyl)hexan-3-one
SMILESCCCC(=O)C(C)c1cccc(OC)c1
InChIInChI=1S/C13H18O2/c1-4-6-13(14)10(2)11-7-5-8-12(9-11)15-3/h5,7-10H,4,6H2,1-3H3
InChIKeyZPOXEXBZDRVHTO-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.17
Rot. Bonds5

About 2-(3-methoxyphenyl)hexan-3-one

2-(3-methoxyphenyl)hexan-3-one (PubChem CID 83047977) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)hexan-3-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)hexan-3-one
PubChem CID83047977
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(3-methoxyphenyl)hexan-3-one
SMILESCCCC(=O)C(C)c1cccc(OC)c1
InChIInChI=1S/C13H18O2/c1-4-6-13(14)10(2)11-7-5-8-12(9-11)15-3/h5,7-10H,4,6H2,1-3H3
InChIKeyZPOXEXBZDRVHTO-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methoxyphenyl)hexan-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

4-(3-methoxyphenyl)-3-methyloctane-2,5-dione
CID 70564422
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 71423704
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
2-(butanoylamino)-2-(3-methoxyphenyl)acetic acid
CID 112508886
(5S)-5-(3-methoxyphenyl)undecan-6-one
CID 124675003
5-(3-methoxyphenyl)hexan-2-one
CID 83928904
ethyl 2-(3-methoxyphenyl)-3-oxooctanoate
CID 54216163
3-fluoro-2-(3-methoxyphenyl)butanoic acid
CID 105465777
(1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one
CID 24826621
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)hexan-3-one?
The IUPAC name of 2-(3-methoxyphenyl)hexan-3-one (CID 83047977) is 2-(3-methoxyphenyl)hexan-3-one.
What is the SMILES notation for 2-(3-methoxyphenyl)hexan-3-one?
The canonical SMILES for 2-(3-methoxyphenyl)hexan-3-one is CCCC(=O)C(C)c1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)hexan-3-one?
The InChIKey is ZPOXEXBZDRVHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-6-13(14)10(2)11-7-5-8-12(9-11)15-3/h5,7-10H,4,6H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)hexan-3-one?
2-(3-methoxyphenyl)hexan-3-one has a molecular weight of 206.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)hexan-3-one is sourced from PubChem (CID 83047977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).