2-(3,5-dimethylphenyl)propan-2-ol

C11H16O — CID 539790

IUPAC2-(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc(C(C)(C)O)c1
InChIInChI=1S/C11H16O/c1-8-5-9(2)7-10(6-8)11(3,4)12/h5-7,12H,1-4H3
InChIKeyUCRQQAQWMSPPFY-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.53
Rot. Bonds1

About 2-(3,5-dimethylphenyl)propan-2-ol

2-(3,5-dimethylphenyl)propan-2-ol (PubChem CID 539790) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)propan-2-ol
PubChem CID539790
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc(C(C)(C)O)c1
InChIInChI=1S/C11H16O/c1-8-5-9(2)7-10(6-8)11(3,4)12/h5-7,12H,1-4H3
InChIKeyUCRQQAQWMSPPFY-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)propan-2-ol?
The IUPAC name of 2-(3,5-dimethylphenyl)propan-2-ol (CID 539790) is 2-(3,5-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)propan-2-ol?
The canonical SMILES for 2-(3,5-dimethylphenyl)propan-2-ol is Cc1cc(C)cc(C(C)(C)O)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)propan-2-ol?
The InChIKey is UCRQQAQWMSPPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8-5-9(2)7-10(6-8)11(3,4)12/h5-7,12H,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)propan-2-ol?
2-(3,5-dimethylphenyl)propan-2-ol has a molecular weight of 164.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 539790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).