1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol

C14H22O2 — CID 105091703

IUPAC1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)CC(O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H22O2/c1-10(9-16-4)7-14(15)13-6-5-11(2)12(3)8-13/h5-6,8,10,14-15H,7,9H2,1-4H3
InChIKeyPEVYZVGBASNLIZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.01
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol

1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol (PubChem CID 105091703) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol
PubChem CID105091703
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)CC(O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H22O2/c1-10(9-16-4)7-14(15)13-6-5-11(2)12(3)8-13/h5-6,8,10,14-15H,7,9H2,1-4H3
InChIKeyPEVYZVGBASNLIZ-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol
CID 114195093
4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 105096922
2-methoxy-1-(3-methoxy-4-methylphenyl)ethanol
CID 115819121
1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 61100498
4-methoxy-3-methyl-1-pyrimidin-5-ylbutan-1-ol
CID 105083775
1-(3-bromo-4-methylphenyl)-2-methoxyethanol
CID 115819132
(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
1-(3,4-dimethylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol
CID 66275709
4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol
CID 105121262
1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114200460
1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol
CID 79617741
1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 107562065

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol (CID 105091703) is 1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol is COCC(C)CC(O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol?
The InChIKey is PEVYZVGBASNLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(9-16-4)7-14(15)13-6-5-11(2)12(3)8-13/h5-6,8,10,14-15H,7,9H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol?
1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 105091703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).