1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone

C15H12Cl2O2 — CID 14203026

IUPAC1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1ccc(Cl)c(Cl)c1OCc1ccccc1
InChIInChI=1S/C15H12Cl2O2/c1-10(18)12-7-8-13(16)14(17)15(12)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyQTXNNIQZZMGZEC-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.78
Rot. Bonds4

About 1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone

1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone (PubChem CID 14203026) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone
PubChem CID14203026
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1ccc(Cl)c(Cl)c1OCc1ccccc1
InChIInChI=1S/C15H12Cl2O2/c1-10(18)12-7-8-13(16)14(17)15(12)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyQTXNNIQZZMGZEC-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-3-phenylmethoxybenzoic acid
CID 164891597
(6-acetyl-2-methyl-3-phenylmethoxyphenyl) 3,4-dichlorobenzoate
CID 2727442
1-[2-chloro-4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 91863406
6-acetyl-2-chloro-3-phenylmethoxybenzonitrile
CID 91863645
1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
CID 70039438
1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037801
1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone
CID 43474275
3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525
(E)-3-(3,5-dichloro-4-phenylmethoxyphenyl)-2-methylprop-2-enoic acid
CID 170873346
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone (CID 14203026) is 1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone is CC(=O)c1ccc(Cl)c(Cl)c1OCc1ccccc1.
What is the InChIKey of 1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone?
The InChIKey is QTXNNIQZZMGZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c1-10(18)12-7-8-13(16)14(17)15(12)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone?
1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone has a molecular weight of 295.17 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 14203026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).