1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol

C12H18O2 — CID 79617741

IUPAC1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol
SMILESCOC(C)C(O)c1ccc(C)c(C)c1
InChIInChI=1S/C12H18O2/c1-8-5-6-11(7-9(8)2)12(13)10(3)14-4/h5-7,10,12-13H,1-4H3
InChIKeyOSFHKWJLXUQSPY-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.37
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol

1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol (PubChem CID 79617741) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol
PubChem CID79617741
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol
SMILESCOC(C)C(O)c1ccc(C)c(C)c1
InChIInChI=1S/C12H18O2/c1-8-5-6-11(7-9(8)2)12(13)10(3)14-4/h5-7,10,12-13H,1-4H3
InChIKeyOSFHKWJLXUQSPY-UHFFFAOYSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene
CID 63427495
1-(3,4-dimethylphenyl)-2-methylsulfonylpropan-1-ol
CID 104521030
4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene
CID 63436116
2-[(3,4-dimethylphenyl)-hydroxymethyl]butanenitrile
CID 79136546
2-(3,4-dimethylphenyl)-2-methoxyacetic acid
CID 83224323
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105091703
[(2S)-1,1-bis(3,4-dimethylphenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 121463927
2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312487
4-(1-methoxypropyl)-1,2-dimethylbenzene
CID 54163976
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
2-(3,4-dimethylphenyl)-3-methylbutanoic acid
CID 12604022

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol (CID 79617741) is 1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol is COC(C)C(O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol?
The InChIKey is OSFHKWJLXUQSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8-5-6-11(7-9(8)2)12(13)10(3)14-4/h5-7,10,12-13H,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol?
1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol is sourced from PubChem (CID 79617741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).