1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one

C17H17ClO3 — CID 39433553

IUPAC1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C17H17ClO3/c1-20-16-7-6-13(11-17(16)21-2)10-15(19)9-12-4-3-5-14(18)8-12/h3-8,11H,9-10H2,1-2H3
InChIKeyJEMFWCWZEYCOJH-UHFFFAOYSA-N
MW304.77 g/mol
LogP3.71
Rot. Bonds6

About 1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one

1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one (PubChem CID 39433553) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
PubChem CID39433553
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C17H17ClO3/c1-20-16-7-6-13(11-17(16)21-2)10-15(19)9-12-4-3-5-14(18)8-12/h3-8,11H,9-10H2,1-2H3
InChIKeyJEMFWCWZEYCOJH-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
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
2-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367589
N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 75871905
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one
CID 160743343
1-[(3-chlorophenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4754999
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 11222686
1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea
CID 9298340
N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503557

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one (CID 39433553) is 1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one is COc1ccc(CC(=O)Cc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one?
The InChIKey is JEMFWCWZEYCOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-20-16-7-6-13(11-17(16)21-2)10-15(19)9-12-4-3-5-14(18)8-12/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one?
1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)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-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one is sourced from PubChem (CID 39433553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).