1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol

C13H20O3 — CID 117322324

IUPAC1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol
SMILESCOc1cc(C)c(CC(C)O)c(C)c1OC
InChIInChI=1S/C13H20O3/c1-8-6-12(15-4)13(16-5)10(3)11(8)7-9(2)14/h6,9,14H,7H2,1-5H3
InChIKeyUFUGWHJJVJIARA-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.24
Rot. Bonds4

About 1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol

1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol (PubChem CID 117322324) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol
PubChem CID117322324
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol
SMILESCOc1cc(C)c(CC(C)O)c(C)c1OC
InChIInChI=1S/C13H20O3/c1-8-6-12(15-4)13(16-5)10(3)11(8)7-9(2)14/h6,9,14H,7H2,1-5H3
InChIKeyUFUGWHJJVJIARA-UHFFFAOYSA-N
XLogP2.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
CID 117114494
1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol
CID 117363837
3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol
CID 117369237
3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116924769
1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol
CID 117400677
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
CID 117114492
2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
CID 84689924
5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine
CID 83939352
4-(1-bromoethyl)-1,2-dimethoxy-3,5-dimethylbenzene
CID 174571134
1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
CID 117306080
1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol
CID 117333392
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol (CID 117322324) is 1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol is COc1cc(C)c(CC(C)O)c(C)c1OC.
What is the InChIKey of 1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol?
The InChIKey is UFUGWHJJVJIARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-8-6-12(15-4)13(16-5)10(3)11(8)7-9(2)14/h6,9,14H,7H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol?
1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 117322324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).