(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone

C17H17ClO2 — CID 115800840

IUPAC(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H17ClO2/c1-3-10-20-16-7-5-4-6-14(16)17(19)13-9-8-12(2)15(18)11-13/h4-9,11H,3,10H2,1-2H3
InChIKeyGZLJDEVCNKWUJI-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.67
Rot. Bonds5

About (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone

(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone (PubChem CID 115800840) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
PubChem CID115800840
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H17ClO2/c1-3-10-20-16-7-5-4-6-14(16)17(19)13-9-8-12(2)15(18)11-13/h4-9,11H,3,10H2,1-2H3
InChIKeyGZLJDEVCNKWUJI-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800817
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
CID 104659409
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799973
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800762
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
(4-butoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 107561455
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657103
1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene
CID 143586421

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone (CID 115800840) is (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone?
The InChIKey is GZLJDEVCNKWUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-3-10-20-16-7-5-4-6-14(16)17(19)13-9-8-12(2)15(18)11-13/h4-9,11H,3,10H2,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone?
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone has a molecular weight of 288.77 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone is sourced from PubChem (CID 115800840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).