2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol

C13H20O2 — CID 58551068

IUPAC2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol
SMILESCOc1cc(C(C)(C)O)ccc1C(C)C
InChIInChI=1S/C13H20O2/c1-9(2)11-7-6-10(13(3,4)14)8-12(11)15-5/h6-9,14H,1-5H3
InChIKeyGSIRBKSHBSLAID-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.05
Rot. Bonds3

About 2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol

2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol (PubChem CID 58551068) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol
PubChem CID58551068
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol
SMILESCOc1cc(C(C)(C)O)ccc1C(C)C
InChIInChI=1S/C13H20O2/c1-9(2)11-7-6-10(13(3,4)14)8-12(11)15-5/h6-9,14H,1-5H3
InChIKeyGSIRBKSHBSLAID-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol
CID 156700199
ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
CID 145081687
4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene
CID 139682030
3-methoxy-4-propan-2-ylbenzoic acid
CID 20750185
2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol
CID 117303270
2-(4-tert-butyl-2-methoxyphenyl)propanamide
CID 91547316
2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117362849
1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117317079
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944
4-ethoxy-2-methoxy-1-propan-2-ylbenzene
CID 176811601
2-[3-(2-methoxy-5-propan-2-ylphenyl)phenyl]propan-2-ol
CID 165115865

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol (CID 58551068) is 2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol is COc1cc(C(C)(C)O)ccc1C(C)C.
What is the InChIKey of 2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol?
The InChIKey is GSIRBKSHBSLAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9(2)11-7-6-10(13(3,4)14)8-12(11)15-5/h6-9,14H,1-5H3.
What are the key properties of 2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol?
2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 58551068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).