2-(2-chloro-4-methylphenyl)propan-2-ol

C10H13ClO — CID 84659863

IUPAC2-(2-chloro-4-methylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(C)O)c(Cl)c1
InChIInChI=1S/C10H13ClO/c1-7-4-5-8(9(11)6-7)10(2,3)12/h4-6,12H,1-3H3
InChIKeyBUULXSQEHVFZSF-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.88
Rot. Bonds1

About 2-(2-chloro-4-methylphenyl)propan-2-ol

2-(2-chloro-4-methylphenyl)propan-2-ol (PubChem CID 84659863) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)propan-2-ol
PubChem CID84659863
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name2-(2-chloro-4-methylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(C)O)c(Cl)c1
InChIInChI=1S/C10H13ClO/c1-7-4-5-8(9(11)6-7)10(2,3)12/h4-6,12H,1-3H3
InChIKeyBUULXSQEHVFZSF-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)propan-2-ol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)propan-2-ol (CID 84659863) is 2-(2-chloro-4-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)propan-2-ol is Cc1ccc(C(C)(C)O)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)propan-2-ol?
The InChIKey is BUULXSQEHVFZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-7-4-5-8(9(11)6-7)10(2,3)12/h4-6,12H,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)propan-2-ol?
2-(2-chloro-4-methylphenyl)propan-2-ol has a molecular weight of 184.67 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)propan-2-ol is sourced from PubChem (CID 84659863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).