1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one

C16H14Cl2O2 — CID 39445145

IUPAC1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2O2/c1-20-14-5-2-11(3-6-14)8-13(19)9-12-4-7-15(17)16(18)10-12/h2-7,10H,8-9H2,1H3
InChIKeyVYVJZHBLKYAYQO-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.36
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one

1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one (PubChem CID 39445145) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
PubChem CID39445145
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2O2/c1-20-14-5-2-11(3-6-14)8-13(19)9-12-4-7-15(17)16(18)10-12/h2-7,10H,8-9H2,1H3
InChIKeyVYVJZHBLKYAYQO-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130
1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 116549406
1-(3,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62619888
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514803
3,4-dichloro-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzamide
CID 34819420
1-bromo-3-(4-methoxyphenyl)propan-2-one
CID 15325008
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514768
1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 63409363
2-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2596997
2-(3,4-dichlorophenyl)-N-[1-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 55580869
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one (CID 39445145) is 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one is COc1ccc(CC(=O)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one?
The InChIKey is VYVJZHBLKYAYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-20-14-5-2-11(3-6-14)8-13(19)9-12-4-7-15(17)16(18)10-12/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one?
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one has a molecular weight of 309.19 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 39445145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).