2-(2,3-dimethylphenyl)-3-methylbutan-2-ol

C13H20O — CID 62549372

IUPAC2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
SMILESCc1cccc(C(C)(O)C(C)C)c1C
InChIInChI=1S/C13H20O/c1-9(2)13(5,14)12-8-6-7-10(3)11(12)4/h6-9,14H,1-5H3
InChIKeyVBNPTWBGKVIECZ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.17
Rot. Bonds2

About 2-(2,3-dimethylphenyl)-3-methylbutan-2-ol

2-(2,3-dimethylphenyl)-3-methylbutan-2-ol (PubChem CID 62549372) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
PubChem CID62549372
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
SMILESCc1cccc(C(C)(O)C(C)C)c1C
InChIInChI=1S/C13H20O/c1-9(2)13(5,14)12-8-6-7-10(3)11(12)4/h6-9,14H,1-5H3
InChIKeyVBNPTWBGKVIECZ-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol
CID 91657388
2-(2,3-dimethylphenyl)propan-2-amine;ethane
CID 170725770
2-(2,3-dimethylphenyl)-2-hydroxypropanal
CID 66040528
2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 58543603
3-(2,3-dimethylphenyl)pentan-3-ol
CID 62549371
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
acetic acid;2-(2,3-dimethylphenyl)propan-2-amine
CID 173060672
(1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol
CID 94483384
bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol
CID 11631636
(2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol
CID 96823487
1-(2,3-dimethylbutan-2-yl)-2-methylbenzene
CID 14195588
1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol
CID 62548527

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-3-methylbutan-2-ol?
The IUPAC name of 2-(2,3-dimethylphenyl)-3-methylbutan-2-ol (CID 62549372) is 2-(2,3-dimethylphenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-3-methylbutan-2-ol?
The canonical SMILES for 2-(2,3-dimethylphenyl)-3-methylbutan-2-ol is Cc1cccc(C(C)(O)C(C)C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-3-methylbutan-2-ol?
The InChIKey is VBNPTWBGKVIECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9(2)13(5,14)12-8-6-7-10(3)11(12)4/h6-9,14H,1-5H3.
What are the key properties of 2-(2,3-dimethylphenyl)-3-methylbutan-2-ol?
2-(2,3-dimethylphenyl)-3-methylbutan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 62549372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).