5-(2,3-dimethylphenyl)pentane-2,3-diol

C13H20O2 — CID 83922085

IUPAC5-(2,3-dimethylphenyl)pentane-2,3-diol
SMILESCc1cccc(CCC(O)C(C)O)c1C
InChIInChI=1S/C13H20O2/c1-9-5-4-6-12(10(9)2)7-8-13(15)11(3)14/h4-6,11,13-15H,7-8H2,1-3H3
InChIKeyXUIOKTBXTMGIEI-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.98
Rot. Bonds4

About 5-(2,3-dimethylphenyl)pentane-2,3-diol

5-(2,3-dimethylphenyl)pentane-2,3-diol (PubChem CID 83922085) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)pentane-2,3-diol.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)pentane-2,3-diol
PubChem CID83922085
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5-(2,3-dimethylphenyl)pentane-2,3-diol
SMILESCc1cccc(CCC(O)C(C)O)c1C
InChIInChI=1S/C13H20O2/c1-9-5-4-6-12(10(9)2)7-8-13(15)11(3)14/h4-6,11,13-15H,7-8H2,1-3H3
InChIKeyXUIOKTBXTMGIEI-UHFFFAOYSA-N
XLogP1.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-3-(3-methylbutyl)benzene
CID 86189898
5-(2-methoxyphenyl)pentane-2,3-diol
CID 83929090
5-(2-methoxy-6-methylphenyl)pentane-2,3-diol
CID 83923964
5-(4-methylphenyl)pentane-2,3-diol
CID 67119841
4-methyl-1-(2-methylphenyl)heptan-3-ol
CID 107894629
N-[(3R,4S)-1-(2,3-dimethylphenyl)-4-hydroxypentan-3-yl]-1H-imidazole-5-carboxamide
CID 70097242
1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene
CID 139601612
2-methyl-6-(3-methylbutyl)aniline
CID 105437241
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83922020
1-(3-bromopropyl)-2,3-dimethylbenzene
CID 59407640
1-amino-2,5-bis(2-methylphenyl)pentan-3-ol
CID 65186565

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)pentane-2,3-diol?
The IUPAC name of 5-(2,3-dimethylphenyl)pentane-2,3-diol (CID 83922085) is 5-(2,3-dimethylphenyl)pentane-2,3-diol.
What is the SMILES notation for 5-(2,3-dimethylphenyl)pentane-2,3-diol?
The canonical SMILES for 5-(2,3-dimethylphenyl)pentane-2,3-diol is Cc1cccc(CCC(O)C(C)O)c1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)pentane-2,3-diol?
The InChIKey is XUIOKTBXTMGIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-5-4-6-12(10(9)2)7-8-13(15)11(3)14/h4-6,11,13-15H,7-8H2,1-3H3.
What are the key properties of 5-(2,3-dimethylphenyl)pentane-2,3-diol?
5-(2,3-dimethylphenyl)pentane-2,3-diol has a molecular weight of 208.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)pentane-2,3-diol is sourced from PubChem (CID 83922085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).