(5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone

C13H15ClO2 — CID 82265871

IUPAC(5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone
SMILESCC(C)c1cc(Cl)cc(C(=O)C2CC2)c1O
InChIInChI=1S/C13H15ClO2/c1-7(2)10-5-9(14)6-11(13(10)16)12(15)8-3-4-8/h5-8,16H,3-4H2,1-2H3
InChIKeyKIUVLWUBUWJGHV-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.76
Rot. Bonds3

About (5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone

(5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone (PubChem CID 82265871) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is (5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone
PubChem CID82265871
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name(5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone
SMILESCC(C)c1cc(Cl)cc(C(=O)C2CC2)c1O
InChIInChI=1S/C13H15ClO2/c1-7(2)10-5-9(14)6-11(13(10)16)12(15)8-3-4-8/h5-8,16H,3-4H2,1-2H3
InChIKeyKIUVLWUBUWJGHV-UHFFFAOYSA-N
XLogP3.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone?
The IUPAC name of (5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone (CID 82265871) is (5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone.
What is the SMILES notation for (5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone?
The canonical SMILES for (5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone is CC(C)c1cc(Cl)cc(C(=O)C2CC2)c1O.
What is the InChIKey of (5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone?
The InChIKey is KIUVLWUBUWJGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-7(2)10-5-9(14)6-11(13(10)16)12(15)8-3-4-8/h5-8,16H,3-4H2,1-2H3.
What are the key properties of (5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone?
(5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone has a molecular weight of 238.71 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxy-3-propan-2-ylphenyl)-cyclopropylmethanone is sourced from PubChem (CID 82265871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).