2,3-dimethyl-1-(3-methylphenyl)butan-2-ol

C13H20O — CID 60798225

IUPAC2,3-dimethyl-1-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(CC(C)(O)C(C)C)c1
InChIInChI=1S/C13H20O/c1-10(2)13(4,14)9-12-7-5-6-11(3)8-12/h5-8,10,14H,9H2,1-4H3
InChIKeyMDIXMDUGIWJWQF-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.94
Rot. Bonds3

About 2,3-dimethyl-1-(3-methylphenyl)butan-2-ol

2,3-dimethyl-1-(3-methylphenyl)butan-2-ol (PubChem CID 60798225) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2,3-dimethyl-1-(3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(3-methylphenyl)butan-2-ol
PubChem CID60798225
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2,3-dimethyl-1-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(CC(C)(O)C(C)C)c1
InChIInChI=1S/C13H20O/c1-10(2)13(4,14)9-12-7-5-6-11(3)8-12/h5-8,10,14H,9H2,1-4H3
InChIKeyMDIXMDUGIWJWQF-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
2-[(3-methylphenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79450470
1,2-bis(3-methylphenyl)propan-2-ol
CID 60798209
2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001727
2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol
CID 57195699
1-(2-hydroxy-2,3-dimethylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111120935
1-(4-bromo-2,2-dimethylpentyl)-3-methylbenzene
CID 64715591
2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol
CID 60799213
2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
CID 144517677
1-methyl-3-(2,2,3,3-tetrafluorobutyl)benzene
CID 159642722
1-(2,2-dimethylbut-3-ynyl)-3-methylbenzene
CID 122240116
2-(aminomethyl)-3-methyl-2-[(3-methylphenyl)methyl]butanoic acid
CID 106488491

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(3-methylphenyl)butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(3-methylphenyl)butan-2-ol (CID 60798225) is 2,3-dimethyl-1-(3-methylphenyl)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(3-methylphenyl)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(3-methylphenyl)butan-2-ol is Cc1cccc(CC(C)(O)C(C)C)c1.
What is the InChIKey of 2,3-dimethyl-1-(3-methylphenyl)butan-2-ol?
The InChIKey is MDIXMDUGIWJWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10(2)13(4,14)9-12-7-5-6-11(3)8-12/h5-8,10,14H,9H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(3-methylphenyl)butan-2-ol?
2,3-dimethyl-1-(3-methylphenyl)butan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(3-methylphenyl)butan-2-ol is sourced from PubChem (CID 60798225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).