1-(2-chloro-3-methylphenyl)propan-2-ol

C10H13ClO — CID 117279944

IUPAC1-(2-chloro-3-methylphenyl)propan-2-ol
SMILESCc1cccc(CC(C)O)c1Cl
InChIInChI=1S/C10H13ClO/c1-7-4-3-5-9(10(7)11)6-8(2)12/h3-5,8,12H,6H2,1-2H3
InChIKeyLOQSDOSLSLDWGF-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.57
Rot. Bonds2

About 1-(2-chloro-3-methylphenyl)propan-2-ol

1-(2-chloro-3-methylphenyl)propan-2-ol (PubChem CID 117279944) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)propan-2-ol
PubChem CID117279944
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name1-(2-chloro-3-methylphenyl)propan-2-ol
SMILESCc1cccc(CC(C)O)c1Cl
InChIInChI=1S/C10H13ClO/c1-7-4-3-5-9(10(7)11)6-8(2)12/h3-5,8,12H,6H2,1-2H3
InChIKeyLOQSDOSLSLDWGF-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-3-methylphenyl)propan-2-ol (CID 117279944) is 1-(2-chloro-3-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)propan-2-ol is Cc1cccc(CC(C)O)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)propan-2-ol?
The InChIKey is LOQSDOSLSLDWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-7-4-3-5-9(10(7)11)6-8(2)12/h3-5,8,12H,6H2,1-2H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)propan-2-ol?
1-(2-chloro-3-methylphenyl)propan-2-ol has a molecular weight of 184.67 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)propan-2-ol is sourced from PubChem (CID 117279944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).