(2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone

C12H13ClO3 — CID 90303693

IUPAC(2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone
SMILESCOc1cc(Cl)c(C(=O)C2CC2)c(OC)c1
InChIInChI=1S/C12H13ClO3/c1-15-8-5-9(13)11(10(6-8)16-2)12(14)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyVAHWVBIGGJCRBN-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.95
Rot. Bonds4

About (2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone

(2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone (PubChem CID 90303693) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is (2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone
PubChem CID90303693
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name(2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone
SMILESCOc1cc(Cl)c(C(=O)C2CC2)c(OC)c1
InChIInChI=1S/C12H13ClO3/c1-15-8-5-9(13)11(10(6-8)16-2)12(14)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyVAHWVBIGGJCRBN-UHFFFAOYSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(2,4-dichloro-6-methoxyphenyl)methanone
CID 82554125
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
1,3,5-triazin-2-yl 2-chloro-4,6-dimethoxybenzoate
CID 175448152
(2-chloro-4-methoxyphenyl)-cyclooctylmethanone
CID 65018637
1-(2,4,6-trimethoxyphenyl)prop-2-yn-1-one
CID 119085445
(4-chloro-2-methoxy-5-methylphenyl)-cyclopropylmethanone;(5-chloro-2-methoxy-4-methylphenyl)-cyclopropylmethanone;ethane
CID 143337733
(2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone
CID 116809969
(2-bromo-4,6-dimethoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114824821
1-(2,4-dimethoxy-6-sulfanylphenyl)ethanone
CID 86747405
3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551753

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone?
The IUPAC name of (2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone (CID 90303693) is (2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone.
What is the SMILES notation for (2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone?
The canonical SMILES for (2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone is COc1cc(Cl)c(C(=O)C2CC2)c(OC)c1.
What is the InChIKey of (2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone?
The InChIKey is VAHWVBIGGJCRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-15-8-5-9(13)11(10(6-8)16-2)12(14)7-3-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of (2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone?
(2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone has a molecular weight of 240.69 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone is sourced from PubChem (CID 90303693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).