1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one

C15H21ClO2 — CID 82266800

IUPAC1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one
SMILESCCCC(=O)c1c(C)c(Cl)cc(C)c1OC(C)C
InChIInChI=1S/C15H21ClO2/c1-6-7-13(17)14-11(5)12(16)8-10(4)15(14)18-9(2)3/h8-9H,6-7H2,1-5H3
InChIKeyYAMCEBMZDGGQHV-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.73
Rot. Bonds5

About 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one

1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one (PubChem CID 82266800) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one
PubChem CID82266800
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one
SMILESCCCC(=O)c1c(C)c(Cl)cc(C)c1OC(C)C
InChIInChI=1S/C15H21ClO2/c1-6-7-13(17)14-11(5)12(16)8-10(4)15(14)18-9(2)3/h8-9H,6-7H2,1-5H3
InChIKeyYAMCEBMZDGGQHV-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-one
CID 82266724
1-(5-chloro-2-hydroxy-3,6-dimethylphenyl)butan-1-one
CID 82266653
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid
CID 82266792
3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline
CID 82266805
3-chloro-2,5-dimethyl-6-propoxybenzoic acid
CID 82266755
1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)propan-1-amine
CID 82266811
5-chloro-2-ethoxy-3,6-dimethylbenzamide
CID 82266739
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)ethanamine
CID 82266808
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266700
1-(5-chloro-2-propan-2-yloxyphenyl)butan-1-one
CID 82051215
2-chloro-1-(2,3,6-trimethyl-4-propan-2-yloxyphenyl)ethanone
CID 82266293
1-(3-methyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82051544

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one?
The IUPAC name of 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one (CID 82266800) is 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one.
What is the SMILES notation for 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one?
The canonical SMILES for 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one is CCCC(=O)c1c(C)c(Cl)cc(C)c1OC(C)C.
What is the InChIKey of 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one?
The InChIKey is YAMCEBMZDGGQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-6-7-13(17)14-11(5)12(16)8-10(4)15(14)18-9(2)3/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one?
1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one has a molecular weight of 268.78 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)butan-1-one is sourced from PubChem (CID 82266800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).