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

C10H10Cl2O2 — CID 131170136

IUPAC1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one
SMILESCOc1ccc(Cl)c(C(Cl)C(C)=O)c1
InChIInChI=1S/C10H10Cl2O2/c1-6(13)10(12)8-5-7(14-2)3-4-9(8)11/h3-5,10H,1-2H3
InChIKeySURJJZAGARTINA-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.22
Rot. Bonds3

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

1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one (PubChem CID 131170136) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one
PubChem CID131170136
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one
SMILESCOc1ccc(Cl)c(C(Cl)C(C)=O)c1
InChIInChI=1S/C10H10Cl2O2/c1-6(13)10(12)8-5-7(14-2)3-4-9(8)11/h3-5,10H,1-2H3
InChIKeySURJJZAGARTINA-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one
CID 131010117
1-chloro-1-(2-chloro-5-sulfanylphenyl)propan-2-one
CID 130967617
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
CID 66512330
2-[2-(1-chloro-2-oxopropyl)-4-methoxyphenyl]acetonitrile
CID 131609432
(1S)-1-chloro-1-(4-methoxyphenyl)propan-2-one
CID 86318456
4-(2-chloro-5-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877550
2-(2-chloro-5-methoxyphenoxy)-3-oxobutanoic acid
CID 67573915
3-(2-chloro-5-methoxyphenyl)-4-(2,6-difluorophenyl)-4-oxobutanoic acid
CID 129026646
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695
3-(2,5-dimethoxyphenyl)pentane-2,4-dione
CID 98661157
1-(2-chloro-5-methoxyphenyl)-N-methylethanamine
CID 84733712
2-(2-chloro-4-methoxyphenyl)-3-methylbutanoic acid
CID 82293515

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one?
The IUPAC name of 1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one (CID 131170136) is 1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one is COc1ccc(Cl)c(C(Cl)C(C)=O)c1.
What is the InChIKey of 1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one?
The InChIKey is SURJJZAGARTINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-6(13)10(12)8-5-7(14-2)3-4-9(8)11/h3-5,10H,1-2H3.
What are the key properties of 1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one?
1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one has a molecular weight of 233.09 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one is sourced from PubChem (CID 131170136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).