1-(3,6-dichloro-2-methoxyphenyl)propan-1-one

C10H10Cl2O2 — CID 123946716

IUPAC1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1c(Cl)ccc(Cl)c1OC
InChIInChI=1S/C10H10Cl2O2/c1-3-8(13)9-6(11)4-5-7(12)10(9)14-2/h4-5H,3H2,1-2H3
InChIKeyMNFDFBWKHBBFPT-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.59
Rot. Bonds3

About 1-(3,6-dichloro-2-methoxyphenyl)propan-1-one

1-(3,6-dichloro-2-methoxyphenyl)propan-1-one (PubChem CID 123946716) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 1-(3,6-dichloro-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
PubChem CID123946716
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1c(Cl)ccc(Cl)c1OC
InChIInChI=1S/C10H10Cl2O2/c1-3-8(13)9-6(11)4-5-7(12)10(9)14-2/h4-5H,3H2,1-2H3
InChIKeyMNFDFBWKHBBFPT-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride
CID 169177858
1-(3-chloro-2-methoxy-6-methylphenyl)ethanone
CID 84668544
3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one
CID 117331388
1-(3,6-dichloro-2-methoxyphenyl)-2-(2,3-dimethylcyclohexyl)ethanone
CID 58534886
3,6-dichloro-2-methoxybenzoic acid;N,N-dihexylhexan-1-amine
CID 137405087
2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid
CID 14097342
2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 171030175
3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 110287800
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate
CID 68783214

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichloro-2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(3,6-dichloro-2-methoxyphenyl)propan-1-one (CID 123946716) is 1-(3,6-dichloro-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3,6-dichloro-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3,6-dichloro-2-methoxyphenyl)propan-1-one is CCC(=O)c1c(Cl)ccc(Cl)c1OC.
What is the InChIKey of 1-(3,6-dichloro-2-methoxyphenyl)propan-1-one?
The InChIKey is MNFDFBWKHBBFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-3-8(13)9-6(11)4-5-7(12)10(9)14-2/h4-5H,3H2,1-2H3.
What are the key properties of 1-(3,6-dichloro-2-methoxyphenyl)propan-1-one?
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one has a molecular weight of 233.09 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichloro-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 123946716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).