(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone

C17H17ClO2 — CID 43338022

IUPAC(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C17H17ClO2/c1-3-4-12-5-7-13(8-6-12)17(19)15-11-14(18)9-10-16(15)20-2/h5-11H,3-4H2,1-2H3
InChIKeyXLGFUACFYNBNCC-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.53
Rot. Bonds5

About (5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone

(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone (PubChem CID 43338022) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone
PubChem CID43338022
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C17H17ClO2/c1-3-4-12-5-7-13(8-6-12)17(19)15-11-14(18)9-10-16(15)20-2/h5-11H,3-4H2,1-2H3
InChIKeyXLGFUACFYNBNCC-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43160247
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339575
(4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone
CID 166082039
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
CID 108540833
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963832
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
3-(4-aminophenyl)-1-(5-chloro-2-methoxyphenyl)propan-1-one
CID 116605537

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone (CID 43338022) is (5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone?
The InChIKey is XLGFUACFYNBNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-3-4-12-5-7-13(8-6-12)17(19)15-11-14(18)9-10-16(15)20-2/h5-11H,3-4H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone?
(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone has a molecular weight of 288.77 g/mol, XLogP of 4.53, 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-propylphenyl)methanone is sourced from PubChem (CID 43338022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).