1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone

C13H16O2 — CID 117112075

IUPAC1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone
SMILESCOC1(Cc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C13H16O2/c1-10(14)12-5-3-4-11(8-12)9-13(15-2)6-7-13/h3-5,8H,6-7,9H2,1-2H3
InChIKeyFBZFHCFWFIBRPG-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.61
Rot. Bonds4

About 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone

1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone (PubChem CID 117112075) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone
PubChem CID117112075
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone
SMILESCOC1(Cc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C13H16O2/c1-10(14)12-5-3-4-11(8-12)9-13(15-2)6-7-13/h3-5,8H,6-7,9H2,1-2H3
InChIKeyFBZFHCFWFIBRPG-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone 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-[3-[(1-methoxycyclopropyl)methyl]phenyl]acetic acid
CID 117111536
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]cyclobutane-1-carboxylic acid
CID 117114251
3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-2,2-dimethylpropanoic acid
CID 117107914
1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanone
CID 84727295
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol
CID 117114461
3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-3-methylbutanoic acid
CID 115112941
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-[3-(sulfanylmethyl)phenyl]ethanone
CID 56991195
1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone
CID 54297695
(3-ethylphenyl)-(1-methoxycyclopentyl)methanone
CID 104610223
2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine
CID 117108037
3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112565

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone (CID 117112075) is 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone is COC1(Cc2cccc(C(C)=O)c2)CC1.
What is the InChIKey of 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone?
The InChIKey is FBZFHCFWFIBRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-10(14)12-5-3-4-11(8-12)9-13(15-2)6-7-13/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone?
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone has a molecular weight of 204.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone is sourced from PubChem (CID 117112075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).