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

C10H14O — CID 14529

IUPAC2-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(C)O)cc1
InChIInChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3
InChIKeyXLPDVYGDNRIQFV-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.22
Rot. Bonds1

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

2-(4-methylphenyl)propan-2-ol (PubChem CID 14529) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)propan-2-ol
PubChem CID14529
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(C)O)cc1
InChIInChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3
InChIKeyXLPDVYGDNRIQFV-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)propan-2-ol?
The IUPAC name of 2-(4-methylphenyl)propan-2-ol (CID 14529) is 2-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(4-methylphenyl)propan-2-ol is Cc1ccc(C(C)(C)O)cc1.
What is the InChIKey of 2-(4-methylphenyl)propan-2-ol?
The InChIKey is XLPDVYGDNRIQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3.
What are the key properties of 2-(4-methylphenyl)propan-2-ol?
2-(4-methylphenyl)propan-2-ol has a molecular weight of 150.22 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 14529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).