1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol

C12H18O2 — CID 103449136

IUPAC1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol
SMILESCc1cccc(C(O)C(C)(C)O)c1C
InChIInChI=1S/C12H18O2/c1-8-6-5-7-10(9(8)2)11(13)12(3,4)14/h5-7,11,13-14H,1-4H3
InChIKeyPMVGMUILCOWMRZ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.11
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol

1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol (PubChem CID 103449136) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol
PubChem CID103449136
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol
SMILESCc1cccc(C(O)C(C)(C)O)c1C
InChIInChI=1S/C12H18O2/c1-8-6-5-7-10(9(8)2)11(13)12(3,4)14/h5-7,11,13-14H,1-4H3
InChIKeyPMVGMUILCOWMRZ-UHFFFAOYSA-N
XLogP2.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dimethylphenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62397670
2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 79053151
1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79056113
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol
CID 79062312
2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 103448986
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
(2,3-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115791618
1-(2,3-dimethylphenyl)-2-methylsulfanylethanol
CID 62692978
2-[(2,3-dimethylphenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 62396265
1-(1-benzothiophen-7-yl)-2-methylpropane-1,2-diol
CID 103448864
2-methyl-1-(4-methylphenyl)propane-1,2-diol
CID 10535384

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol (CID 103449136) is 1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol is Cc1cccc(C(O)C(C)(C)O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol?
The InChIKey is PMVGMUILCOWMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8-6-5-7-10(9(8)2)11(13)12(3,4)14/h5-7,11,13-14H,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol?
1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol has a molecular weight of 194.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol is sourced from PubChem (CID 103449136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).