(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone

C17H17ClO3 — CID 43339575

IUPAC(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H17ClO3/c1-11(2)21-14-7-4-12(5-8-14)17(19)15-10-13(18)6-9-16(15)20-3/h4-11H,1-3H3
InChIKeyYXIUCYBXHZLPHK-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.37
Rot. Bonds5

About (5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone

(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone (PubChem CID 43339575) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
PubChem CID43339575
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H17ClO3/c1-11(2)21-14-7-4-12(5-8-14)17(19)15-10-13(18)6-9-16(15)20-3/h4-11H,1-3H3
InChIKeyYXIUCYBXHZLPHK-UHFFFAOYSA-N
XLogP4.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone
CID 82265572
(5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43160247
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62919038
(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-propylphenyl)methanone
CID 43338022
4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305
(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 82772715
(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 63661997
(5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone
CID 58962380
(5-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561116

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone (CID 43339575) is (5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone is COc1ccc(Cl)cc1C(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is YXIUCYBXHZLPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-11(2)21-14-7-4-12(5-8-14)17(19)15-10-13(18)6-9-16(15)20-3/h4-11H,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone?
(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 304.77 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 43339575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).