1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone

C16H15ClO3 — CID 82540809

IUPAC1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone
SMILESCOc1ccc(-c2cc(C(C)=O)ccc2Cl)cc1OC
InChIInChI=1S/C16H15ClO3/c1-10(18)11-4-6-14(17)13(8-11)12-5-7-15(19-2)16(9-12)20-3/h4-9H,1-3H3
InChIKeyGBZQLRHYBKVVNS-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.23
Rot. Bonds4

About 1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone

1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone (PubChem CID 82540809) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone
PubChem CID82540809
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone
SMILESCOc1ccc(-c2cc(C(C)=O)ccc2Cl)cc1OC
InChIInChI=1S/C16H15ClO3/c1-10(18)11-4-6-14(17)13(8-11)12-5-7-15(19-2)16(9-12)20-3/h4-9H,1-3H3
InChIKeyGBZQLRHYBKVVNS-UHFFFAOYSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone
CID 82541177
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone
CID 24996134
1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
CID 82541260
methyl (E)-3-[3-(3,4-dimethoxyphenyl)-4-fluorophenyl]but-2-enoate
CID 110447315
1-[4-chloro-3-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651113
1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone
CID 79711690
1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052432
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
1-[4-chloro-3-[4-[hydroxy(methylamino)methyl]phenyl]phenyl]ethanone
CID 82540238
1-(4-acetylphenyl)ethanone;1,2-dimethoxy-4-phenylbenzene;1-methoxy-4-(4-methoxyphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 158634652

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone (CID 82540809) is 1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone is COc1ccc(-c2cc(C(C)=O)ccc2Cl)cc1OC.
What is the InChIKey of 1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone?
The InChIKey is GBZQLRHYBKVVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-10(18)11-4-6-14(17)13(8-11)12-5-7-15(19-2)16(9-12)20-3/h4-9H,1-3H3.
What are the key properties of 1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone?
1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone has a molecular weight of 290.75 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 82540809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).