2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone

C13H16O2 — CID 43799214

IUPAC2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)COCC1CC1
InChIInChI=1S/C13H16O2/c1-10-4-2-3-5-12(10)13(14)9-15-8-11-6-7-11/h2-5,11H,6-9H2,1H3
InChIKeyQQZKTMSXMXHWMR-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.60
Rot. Bonds5

About 2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone

2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone (PubChem CID 43799214) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone
PubChem CID43799214
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)COCC1CC1
InChIInChI=1S/C13H16O2/c1-10-4-2-3-5-12(10)13(14)9-15-8-11-6-7-11/h2-5,11H,6-9H2,1H3
InChIKeyQQZKTMSXMXHWMR-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(cyclopropylmethoxy)-1-(2-methylphenyl)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

[4-[(2-methylbenzoyl)oxymethyl]cyclohexyl]methyl 2-methylbenzoate
CID 18407926
1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
CID 66322654
1-(2-methylphenyl)-2-phenylmethoxyethanone
CID 62029251
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone
CID 103403707
2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone
CID 43800169
1-(2,5-dimethylphenyl)-2-(oxan-4-ylmethoxy)ethanone
CID 62382456
1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone
CID 62381911
2-cyclobutyl-1-(2-methylphenyl)ethanone
CID 65460155
2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone
CID 174630360
N-(2-methylphenyl)-2-(piperidin-4-ylmethoxy)acetamide
CID 39062948
2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone
CID 166958709
2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone
CID 106203148

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone (CID 43799214) is 2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)COCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone?
The InChIKey is QQZKTMSXMXHWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-10-4-2-3-5-12(10)13(14)9-15-8-11-6-7-11/h2-5,11H,6-9H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone?
2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone has a molecular weight of 204.27 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 43799214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).