(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone

C17H17ClO2 — CID 107096172

IUPAC(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C17H17ClO2/c1-4-20-16-9-8-11(2)10-14(16)17(19)13-6-5-7-15(18)12(13)3/h5-10H,4H2,1-3H3
InChIKeyVDMYIVIYAXQPEC-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.59
Rot. Bonds4

About (3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone

(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone (PubChem CID 107096172) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
PubChem CID107096172
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C17H17ClO2/c1-4-20-16-9-8-11(2)10-14(16)17(19)13-6-5-7-15(18)12(13)3/h5-10H,4H2,1-3H3
InChIKeyVDMYIVIYAXQPEC-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone 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

(5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096153
(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096226
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81110926
(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107998309
(5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 106683820
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
(2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81397099
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone
CID 115000096
1-(2-ethoxy-5-methylphenyl)prop-1-ene-1,2-dithiol
CID 72543160

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone (CID 107096172) is (3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone is CCOc1ccc(C)cc1C(=O)c1cccc(Cl)c1C.
What is the InChIKey of (3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone?
The InChIKey is VDMYIVIYAXQPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-4-20-16-9-8-11(2)10-14(16)17(19)13-6-5-7-15(18)12(13)3/h5-10H,4H2,1-3H3.
What are the key properties of (3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone?
(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone has a molecular weight of 288.77 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone is sourced from PubChem (CID 107096172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).