cyclopropyl-(3-methoxyphenyl)methanone

C11H12O2 — CID 12634433

IUPACcyclopropyl-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CC2)c1
InChIInChI=1S/C11H12O2/c1-13-10-4-2-3-9(7-10)11(12)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChIKeyDRJNYGMCZQPJDC-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.29
Rot. Bonds3

About cyclopropyl-(3-methoxyphenyl)methanone

cyclopropyl-(3-methoxyphenyl)methanone (PubChem CID 12634433) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is cyclopropyl-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3-methoxyphenyl)methanone
PubChem CID12634433
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Namecyclopropyl-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CC2)c1
InChIInChI=1S/C11H12O2/c1-13-10-4-2-3-9(7-10)11(12)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChIKeyDRJNYGMCZQPJDC-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone
CID 175706022
cis-(1R,3S)-3-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 24722452
(3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097286
3-(3-methoxybenzoyl)oxolan-2-one
CID 59244973
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884
5-(3-methoxybenzoyl)oxolan-2-one
CID 82127589
N-cyclopropyl-3-methoxybenzamide
CID 900156
(3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171944232
methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
CID 115617221

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-methoxyphenyl)methanone?
The IUPAC name of cyclopropyl-(3-methoxyphenyl)methanone (CID 12634433) is cyclopropyl-(3-methoxyphenyl)methanone.
What is the SMILES notation for cyclopropyl-(3-methoxyphenyl)methanone?
The canonical SMILES for cyclopropyl-(3-methoxyphenyl)methanone is COc1cccc(C(=O)C2CC2)c1.
What is the InChIKey of cyclopropyl-(3-methoxyphenyl)methanone?
The InChIKey is DRJNYGMCZQPJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-13-10-4-2-3-9(7-10)11(12)8-5-6-8/h2-4,7-8H,5-6H2,1H3.
What are the key properties of cyclopropyl-(3-methoxyphenyl)methanone?
cyclopropyl-(3-methoxyphenyl)methanone has a molecular weight of 176.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-methoxyphenyl)methanone is sourced from PubChem (CID 12634433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).