3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one

C13H15ClO2 — CID 92931184

IUPAC3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one
SMILESCc1ccc(Cl)c(OCCC(=O)C2CC2)c1
InChIInChI=1S/C13H15ClO2/c1-9-2-5-11(14)13(8-9)16-7-6-12(15)10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3
InChIKeyKFHUPQVAPPXGEH-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.40
Rot. Bonds5

About 3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one

3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one (PubChem CID 92931184) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one.

Molecular Properties

Compound Name3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one
PubChem CID92931184
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one
SMILESCc1ccc(Cl)c(OCCC(=O)C2CC2)c1
InChIInChI=1S/C13H15ClO2/c1-9-2-5-11(14)13(8-9)16-7-6-12(15)10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3
InChIKeyKFHUPQVAPPXGEH-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66032110
2-(2-chloro-5-methylphenoxy)ethylurea
CID 82081437
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one?
The IUPAC name of 3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one (CID 92931184) is 3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one.
What is the SMILES notation for 3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one?
The canonical SMILES for 3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one is Cc1ccc(Cl)c(OCCC(=O)C2CC2)c1.
What is the InChIKey of 3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one?
The InChIKey is KFHUPQVAPPXGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-9-2-5-11(14)13(8-9)16-7-6-12(15)10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3.
What are the key properties of 3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one?
3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one has a molecular weight of 238.71 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one is sourced from PubChem (CID 92931184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).