1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol

C13H20O2 — CID 117114494

IUPAC1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
SMILESCOc1cc(C)c(CC(C)O)c(C)c1C
InChIInChI=1S/C13H20O2/c1-8-6-13(15-5)11(4)10(3)12(8)7-9(2)14/h6,9,14H,7H2,1-5H3
InChIKeyIUYDWEIIOWABMO-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.54
Rot. Bonds3

About 1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol

1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol (PubChem CID 117114494) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
PubChem CID117114494
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
SMILESCOc1cc(C)c(CC(C)O)c(C)c1C
InChIInChI=1S/C13H20O2/c1-8-6-13(15-5)11(4)10(3)12(8)7-9(2)14/h6,9,14H,7H2,1-5H3
InChIKeyIUYDWEIIOWABMO-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol
CID 117322324
3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116924769
1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol
CID 117363837
5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine
CID 83939352
1-methoxy-2,3,5-trimethyl-4-(2-methylhex-3-ynyl)benzene
CID 83939358
2-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanenitrile
CID 116851197
2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]propanoic acid
CID 117041978
1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196603
1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
CID 117306080
1-(6-methoxy-5,8-dimethylnaphthalen-2-yl)ethanol
CID 19844365
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
CID 117114492
2-[(4-methoxy-2,3,6-trimethylphenyl)methyl]prop-2-enoic acid
CID 116866294

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol?
The IUPAC name of 1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol (CID 117114494) is 1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol is COc1cc(C)c(CC(C)O)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol?
The InChIKey is IUYDWEIIOWABMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-8-6-13(15-5)11(4)10(3)12(8)7-9(2)14/h6,9,14H,7H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol?
1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol is sourced from PubChem (CID 117114494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).