1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone

C14H17ClO2 — CID 117384912

IUPAC1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone
SMILESCC(=O)c1cc(C)cc(Cl)c1OCC1CCC1
InChIInChI=1S/C14H17ClO2/c1-9-6-12(10(2)16)14(13(15)7-9)17-8-11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3
InChIKeyKCSNTNUYEJPLRZ-UHFFFAOYSA-N
MW252.74 g/mol
LogP4.03
Rot. Bonds4

About 1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone

1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone (PubChem CID 117384912) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone
PubChem CID117384912
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone
SMILESCC(=O)c1cc(C)cc(Cl)c1OCC1CCC1
InChIInChI=1S/C14H17ClO2/c1-9-6-12(10(2)16)14(13(15)7-9)17-8-11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3
InChIKeyKCSNTNUYEJPLRZ-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone
CID 84700906
3-chloro-2-(cyclobutylmethoxy)-5-methylphenol
CID 84690826
ethyl 2-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetate
CID 117497861
3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid
CID 65457585
1-[3-chloro-2-(cyclopropylmethoxy)phenyl]ethanone
CID 84689440
3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117425357
(E)-3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]prop-2-en-1-amine
CID 117418834
2-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2-oxoacetic acid
CID 117373340
1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanone
CID 63650104
3-chloro-2-(cyclobutylmethoxy)benzoic acid
CID 112611920
3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine
CID 117449128
2-(cyclobutylmethoxy)-3,5-dimethylphenol
CID 84674450

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone?
The IUPAC name of 1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone (CID 117384912) is 1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone?
The canonical SMILES for 1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone is CC(=O)c1cc(C)cc(Cl)c1OCC1CCC1.
What is the InChIKey of 1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone?
The InChIKey is KCSNTNUYEJPLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-9-6-12(10(2)16)14(13(15)7-9)17-8-11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3.
What are the key properties of 1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone?
1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone has a molecular weight of 252.74 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone is sourced from PubChem (CID 117384912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).