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

C13H15ClO2 — CID 84700906

IUPAC1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone
SMILESCC(=O)c1cc(C)cc(Cl)c1OCC1CC1
InChIInChI=1S/C13H15ClO2/c1-8-5-11(9(2)15)13(12(14)6-8)16-7-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3
InChIKeyMFGJIZVUKKKYBD-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.64
Rot. Bonds4

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

1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone (PubChem CID 84700906) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone
PubChem CID84700906
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone
SMILESCC(=O)c1cc(C)cc(Cl)c1OCC1CC1
InChIInChI=1S/C13H15ClO2/c1-8-5-11(9(2)15)13(12(14)6-8)16-7-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3
InChIKeyMFGJIZVUKKKYBD-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone
CID 117384912
1-[3-chloro-2-(cyclopropylmethoxy)phenyl]ethanone
CID 84689440
3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117425357
3-chloro-2-(cyclobutylmethoxy)-5-methylphenol
CID 84690826
2-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2-oxoacetic acid
CID 117373340
ethyl 2-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetate
CID 117497861
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
CID 117387846
3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid
CID 65457585
2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine
CID 117449166
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
CID 117314118
1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanone
CID 63650104
3-chloro-2-methoxy-5-methylbenzoyl chloride
CID 50882225

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone?
The IUPAC name of 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone (CID 84700906) is 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone?
The canonical SMILES for 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone is CC(=O)c1cc(C)cc(Cl)c1OCC1CC1.
What is the InChIKey of 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone?
The InChIKey is MFGJIZVUKKKYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-8-5-11(9(2)15)13(12(14)6-8)16-7-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3.
What are the key properties of 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone?
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone has a molecular weight of 238.71 g/mol, XLogP of 3.64, 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-(cyclopropylmethoxy)-5-methylphenyl]ethanone is sourced from PubChem (CID 84700906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).