(2-chloro-4-ethoxyphenyl)-cyclopropylmethanone

C12H13ClO2 — CID 82267627

IUPAC(2-chloro-4-ethoxyphenyl)-cyclopropylmethanone
SMILESCCOc1ccc(C(=O)C2CC2)c(Cl)c1
InChIInChI=1S/C12H13ClO2/c1-2-15-9-5-6-10(11(13)7-9)12(14)8-3-4-8/h5-8H,2-4H2,1H3
InChIKeyMVNBVMJEZYWPQW-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.33
Rot. Bonds4

About (2-chloro-4-ethoxyphenyl)-cyclopropylmethanone

(2-chloro-4-ethoxyphenyl)-cyclopropylmethanone (PubChem CID 82267627) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is (2-chloro-4-ethoxyphenyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(2-chloro-4-ethoxyphenyl)-cyclopropylmethanone
PubChem CID82267627
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name(2-chloro-4-ethoxyphenyl)-cyclopropylmethanone
SMILESCCOc1ccc(C(=O)C2CC2)c(Cl)c1
InChIInChI=1S/C12H13ClO2/c1-2-15-9-5-6-10(11(13)7-9)12(14)8-3-4-8/h5-8H,2-4H2,1H3
InChIKeyMVNBVMJEZYWPQW-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-chloro-4-ethoxyphenyl)-cyclopropylmethanone 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

cyclopropyl-(4-ethoxy-2-ethylphenyl)methanone
CID 82267347
[2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone
CID 82551740
cyclohexyl-(4-ethoxy-2-hydroxyphenyl)methanone
CID 12660809
(2-chloro-4-methoxyphenyl)-cyclooctylmethanone
CID 65018637
3-bromo-1-(2-chloro-4-ethoxyphenyl)propan-1-one
CID 134624497
4-chloro-1-(2-chloro-4-ethoxyphenyl)butan-1-one
CID 82267613
(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone
CID 43330615
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003
methyl (E)-4-(2-chloro-4-ethoxyphenyl)-4-oxobut-2-enoate
CID 82551811
(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
CID 82553697
2-chloro-4-ethoxy-1-ethylbenzene
CID 21064451
cyclobutyl-(2,4-dichlorophenyl)methanone
CID 24724148

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-ethoxyphenyl)-cyclopropylmethanone?
The IUPAC name of (2-chloro-4-ethoxyphenyl)-cyclopropylmethanone (CID 82267627) is (2-chloro-4-ethoxyphenyl)-cyclopropylmethanone.
What is the SMILES notation for (2-chloro-4-ethoxyphenyl)-cyclopropylmethanone?
The canonical SMILES for (2-chloro-4-ethoxyphenyl)-cyclopropylmethanone is CCOc1ccc(C(=O)C2CC2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-ethoxyphenyl)-cyclopropylmethanone?
The InChIKey is MVNBVMJEZYWPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-2-15-9-5-6-10(11(13)7-9)12(14)8-3-4-8/h5-8H,2-4H2,1H3.
What are the key properties of (2-chloro-4-ethoxyphenyl)-cyclopropylmethanone?
(2-chloro-4-ethoxyphenyl)-cyclopropylmethanone has a molecular weight of 224.69 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-ethoxyphenyl)-cyclopropylmethanone is sourced from PubChem (CID 82267627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).