(5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone

C18H19ClO2 — CID 43160247

IUPAC(5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H19ClO2/c1-12(2)10-13-4-6-14(7-5-13)18(20)16-11-15(19)8-9-17(16)21-3/h4-9,11-12H,10H2,1-3H3
InChIKeyYUWMELGVMYAEPF-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.78
Rot. Bonds5

About (5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone

(5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 43160247) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
PubChem CID43160247
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name(5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H19ClO2/c1-12(2)10-13-4-6-14(7-5-13)18(20)16-11-15(19)8-9-17(16)21-3/h4-9,11-12H,10H2,1-3H3
InChIKeyYUWMELGVMYAEPF-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone
CID 43338022
(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339575
(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 14297404
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 115368731
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
1-(5-chloro-2-methoxyphenyl)-4-methylpentan-1-one
CID 62791296
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-one
CID 104544879
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338130

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone (CID 43160247) is (5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone is COc1ccc(Cl)cc1C(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is YUWMELGVMYAEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-12(2)10-13-4-6-14(7-5-13)18(20)16-11-15(19)8-9-17(16)21-3/h4-9,11-12H,10H2,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
(5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 302.80 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 43160247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).