1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one

C17H17ClO3 — CID 62620437

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
SMILESCOc1ccccc1CC(=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C17H17ClO3/c1-20-16-6-4-3-5-12(16)10-15(19)11-13-9-14(18)7-8-17(13)21-2/h3-9H,10-11H2,1-2H3
InChIKeyZLCSWGHLLSQLCP-UHFFFAOYSA-N
MW304.77 g/mol
LogP3.71
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one

1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one (PubChem CID 62620437) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
PubChem CID62620437
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
SMILESCOc1ccccc1CC(=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C17H17ClO3/c1-20-16-6-4-3-5-12(16)10-15(19)11-13-9-14(18)7-8-17(13)21-2/h3-9H,10-11H2,1-2H3
InChIKeyZLCSWGHLLSQLCP-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one
CID 62620945
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62196384
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
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1-(5-chloro-2-methoxyphenyl)-4,4,4-trifluorobutan-2-one
CID 62620064
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diaminophenyl)propan-2-one
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1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
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1-(5-chloro-2-methoxyphenyl)undecan-2-one
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1-(5-chloro-2-methoxyphenyl)-4-pyridin-2-ylbutan-2-one
CID 105090970
1-(2-bromo-5-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 114026782
1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 55588565
3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one
CID 104844961
1-(5-chloro-2-methoxyphenyl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588481

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one (CID 62620437) is 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one is COc1ccccc1CC(=O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one?
The InChIKey is ZLCSWGHLLSQLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-20-16-6-4-3-5-12(16)10-15(19)11-13-9-14(18)7-8-17(13)21-2/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one?
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one has a molecular weight of 304.77 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one is sourced from PubChem (CID 62620437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).