1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol

C13H20O2 — CID 117114492

IUPAC1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
SMILESCOc1c(C)cc(CC(C)O)c(C)c1C
InChIInChI=1S/C13H20O2/c1-8-6-12(7-9(2)14)10(3)11(4)13(8)15-5/h6,9,14H,7H2,1-5H3
InChIKeyYOBGEJKYCFOREU-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.54
Rot. Bonds3

About 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol

1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol (PubChem CID 117114492) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
PubChem CID117114492
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
SMILESCOc1c(C)cc(CC(C)O)c(C)c1C
InChIInChI=1S/C13H20O2/c1-8-6-12(7-9(2)14)10(3)11(4)13(8)15-5/h6,9,14H,7H2,1-5H3
InChIKeyYOBGEJKYCFOREU-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-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117328885
1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol
CID 112513447
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate
CID 116931308
2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanenitrile
CID 116931539
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
CID 96661156
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate
CID 112514975
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206463
(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol?
The IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol (CID 117114492) is 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol is COc1c(C)cc(CC(C)O)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol?
The InChIKey is YOBGEJKYCFOREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-8-6-12(7-9(2)14)10(3)11(4)13(8)15-5/h6,9,14H,7H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol?
1-(4-methoxy-2,3,5-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-2,3,5-trimethylphenyl)propan-2-ol is sourced from PubChem (CID 117114492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).