2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol

C14H22O — CID 58555255

IUPAC2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol
SMILESCc1ccccc1CC(C)(C)C(C)(C)O
InChIInChI=1S/C14H22O/c1-11-8-6-7-9-12(11)10-13(2,3)14(4,5)15/h6-9,15H,10H2,1-5H3
InChIKeyIYINCVDPCLYGCY-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.33
Rot. Bonds3

About 2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol

2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol (PubChem CID 58555255) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol
PubChem CID58555255
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol
SMILESCc1ccccc1CC(C)(C)C(C)(C)O
InChIInChI=1S/C14H22O/c1-11-8-6-7-9-12(11)10-13(2,3)14(4,5)15/h6-9,15H,10H2,1-5H3
InChIKeyIYINCVDPCLYGCY-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 166564224
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CID 114994895
1,1,2-tris(2-methylphenyl)ethanol
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2-methyl-1-(2-methylphenyl)propane-2-thiol
CID 10583708
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
2-(2-chlorophenyl)-1-(2-methylphenyl)propan-2-ol
CID 54919421
2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol
CID 83151379
1-(2,2-dimethylbut-3-ynyl)-2-methylbenzene
CID 122240113
2-methyl-2-[(2-methylphenyl)methyl]pentan-1-ol
CID 66025238
1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene
CID 144803038
3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol
CID 65392997

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol?
The IUPAC name of 2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol (CID 58555255) is 2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol.
What is the SMILES notation for 2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol?
The canonical SMILES for 2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol is Cc1ccccc1CC(C)(C)C(C)(C)O.
What is the InChIKey of 2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol?
The InChIKey is IYINCVDPCLYGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11-8-6-7-9-12(11)10-13(2,3)14(4,5)15/h6-9,15H,10H2,1-5H3.
What are the key properties of 2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol?
2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol is sourced from PubChem (CID 58555255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).