1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone

C13H17ClO2 — CID 82053386

IUPAC1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone
SMILESCC(=O)c1c(OC(C)C)cc(C)c(Cl)c1C
InChIInChI=1S/C13H17ClO2/c1-7(2)16-11-6-8(3)13(14)9(4)12(11)10(5)15/h6-7H,1-5H3
InChIKeyGBWDLIXEZJTKTO-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.95
Rot. Bonds3

About 1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone

1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone (PubChem CID 82053386) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone
PubChem CID82053386
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone
SMILESCC(=O)c1c(OC(C)C)cc(C)c(Cl)c1C
InChIInChI=1S/C13H17ClO2/c1-7(2)16-11-6-8(3)13(14)9(4)12(11)10(5)15/h6-7H,1-5H3
InChIKeyGBWDLIXEZJTKTO-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone
CID 82265287
1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-2-propan-2-ylsulfanylethanone
CID 82053390
(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone
CID 82553178
methyl (E)-4-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-4-oxobut-2-enoate
CID 82553184
ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate
CID 82553188
2-chloro-1-(2,3,6-trimethyl-4-propan-2-yloxyphenyl)ethanone
CID 82266293
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one
CID 62379205
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)prop-2-enoic acid
CID 82292853
propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate
CID 82553210
1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol
CID 174576227

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone (CID 82053386) is 1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone is CC(=O)c1c(OC(C)C)cc(C)c(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone?
The InChIKey is GBWDLIXEZJTKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-7(2)16-11-6-8(3)13(14)9(4)12(11)10(5)15/h6-7H,1-5H3.
What are the key properties of 1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone?
1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone has a molecular weight of 240.73 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 82053386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).