1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one

C13H17ClO2 — CID 62381034

IUPAC1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one
SMILESCc1cc(O)c(C(=O)C(C)(C)C)c(C)c1Cl
InChIInChI=1S/C13H17ClO2/c1-7-6-9(15)10(8(2)11(7)14)12(16)13(3,4)5/h6,15H,1-5H3
InChIKeyQLPHKIHVDJEBSK-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.89
Rot. Bonds1

About 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one

1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one (PubChem CID 62381034) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one
PubChem CID62381034
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one
SMILESCc1cc(O)c(C(=O)C(C)(C)C)c(C)c1Cl
InChIInChI=1S/C13H17ClO2/c1-7-6-9(15)10(8(2)11(7)14)12(16)13(3,4)5/h6,15H,1-5H3
InChIKeyQLPHKIHVDJEBSK-UHFFFAOYSA-N
XLogP3.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one (CID 62381034) is 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one is Cc1cc(O)c(C(=O)C(C)(C)C)c(C)c1Cl.
What is the InChIKey of 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one?
The InChIKey is QLPHKIHVDJEBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-7-6-9(15)10(8(2)11(7)14)12(16)13(3,4)5/h6,15H,1-5H3.
What are the key properties of 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one?
1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one has a molecular weight of 240.73 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 62381034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).