1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol

C13H20O3 — CID 117322382

IUPAC1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
SMILESCOc1cc(C(C)C)c(C(C)O)cc1OC
InChIInChI=1S/C13H20O3/c1-8(2)10-6-12(15-4)13(16-5)7-11(10)9(3)14/h6-9,14H,1-5H3
InChIKeyAJTKEFJDJCPRTN-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.88
Rot. Bonds4

About 1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol

1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol (PubChem CID 117322382) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
PubChem CID117322382
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
SMILESCOc1cc(C(C)C)c(C(C)O)cc1OC
InChIInChI=1S/C13H20O3/c1-8(2)10-6-12(15-4)13(16-5)7-11(10)9(3)14/h6-9,14H,1-5H3
InChIKeyAJTKEFJDJCPRTN-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
1-(4,5-dimethoxy-2-nitrosophenyl)ethanol
CID 88927442
4,5-dimethoxy-2-propan-2-ylbenzenethiol
CID 130436084
(1S)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916121
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916122
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol
CID 84705859
1-(2,4-dimethoxy-5-methylphenyl)ethanol
CID 84666953
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol
CID 84679217

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol (CID 117322382) is 1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol is COc1cc(C(C)C)c(C(C)O)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol?
The InChIKey is AJTKEFJDJCPRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-8(2)10-6-12(15-4)13(16-5)7-11(10)9(3)14/h6-9,14H,1-5H3.
What are the key properties of 1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol?
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol has a molecular weight of 224.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 117322382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).