1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one

C14H18O2 — CID 64504307

IUPAC1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
SMILESCOc1cccc(CCCC(=O)C2CC2)c1
InChIInChI=1S/C14H18O2/c1-16-13-6-2-4-11(10-13)5-3-7-14(15)12-8-9-12/h2,4,6,10,12H,3,5,7-9H2,1H3
InChIKeyAJHRJQFITUDWQF-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.00
Rot. Bonds6

About 1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one

1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one (PubChem CID 64504307) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
PubChem CID64504307
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
SMILESCOc1cccc(CCCC(=O)C2CC2)c1
InChIInChI=1S/C14H18O2/c1-16-13-6-2-4-11(10-13)5-3-7-14(15)12-8-9-12/h2,4,6,10,12H,3,5,7-9H2,1H3
InChIKeyAJHRJQFITUDWQF-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-4-(3-methoxyphenyl)butan-1-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

5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432
3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536925
1-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethanone
CID 63907495
1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
CID 113390085
1-(3-methoxyphenyl)heptan-4-one
CID 64502649
5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
CID 56974731
1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one
CID 65325759
cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone
CID 110358229
N-hydroxy-8-(3-methoxyphenyl)octanamide
CID 155529506
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one?
The IUPAC name of 1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one (CID 64504307) is 1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one.
What is the SMILES notation for 1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one?
The canonical SMILES for 1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one is COc1cccc(CCCC(=O)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one?
The InChIKey is AJHRJQFITUDWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-16-13-6-2-4-11(10-13)5-3-7-14(15)12-8-9-12/h2,4,6,10,12H,3,5,7-9H2,1H3.
What are the key properties of 1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one?
1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one is sourced from PubChem (CID 64504307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).