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

C11H16O2 — CID 19100289

IUPAC2-(3,5-dimethylphenoxy)propan-2-ol
SMILESCc1cc(C)cc(OC(C)(C)O)c1
InChIInChI=1S/C11H16O2/c1-8-5-9(2)7-10(6-8)13-11(3,4)12/h5-7,12H,1-4H3
InChIKeyWDBMLQADOKWRAG-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.41
Rot. Bonds2

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

2-(3,5-dimethylphenoxy)propan-2-ol (PubChem CID 19100289) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)propan-2-ol
PubChem CID19100289
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(3,5-dimethylphenoxy)propan-2-ol
SMILESCc1cc(C)cc(OC(C)(C)O)c1
InChIInChI=1S/C11H16O2/c1-8-5-9(2)7-10(6-8)13-11(3,4)12/h5-7,12H,1-4H3
InChIKeyWDBMLQADOKWRAG-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)propan-2-ol?
The IUPAC name of 2-(3,5-dimethylphenoxy)propan-2-ol (CID 19100289) is 2-(3,5-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 2-(3,5-dimethylphenoxy)propan-2-ol is Cc1cc(C)cc(OC(C)(C)O)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)propan-2-ol?
The InChIKey is WDBMLQADOKWRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-5-9(2)7-10(6-8)13-11(3,4)12/h5-7,12H,1-4H3.
What are the key properties of 2-(3,5-dimethylphenoxy)propan-2-ol?
2-(3,5-dimethylphenoxy)propan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 19100289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).