2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol

C14H22O — CID 83151379

IUPAC2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol
SMILESCc1ccccc1CC(C)(CO)C(C)C
InChIInChI=1S/C14H22O/c1-11(2)14(4,10-15)9-13-8-6-5-7-12(13)3/h5-8,11,15H,9-10H2,1-4H3
InChIKeyHMDKWEPTVAFZSZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.19
Rot. Bonds4

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

2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol (PubChem CID 83151379) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol
PubChem CID83151379
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol
SMILESCc1ccccc1CC(C)(CO)C(C)C
InChIInChI=1S/C14H22O/c1-11(2)14(4,10-15)9-13-8-6-5-7-12(13)3/h5-8,11,15H,9-10H2,1-4H3
InChIKeyHMDKWEPTVAFZSZ-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol
CID 65392997
2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol
CID 105375980
2-[(2-methylphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450807
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
2-methyl-2-[(2-methylphenyl)methyl]pentan-1-ol
CID 66025238
2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol
CID 58555255
2-methyl-1-(2-methylphenyl)propane-2-thiol
CID 10583708
2-[(2-methylphenyl)methyl]-2-propylpropane-1,3-diol
CID 79450994
2-methyl-1-(2-methylphenyl)-3-phenylpropan-2-ol
CID 114994895
1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene
CID 144803038
4-methyl-3-[(2-methylphenyl)methyl]-1,1-bis(methylsulfanyl)pentan-3-ol
CID 11022914
1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene
CID 166564224

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol?
The IUPAC name of 2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol (CID 83151379) is 2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol.
What is the SMILES notation for 2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol?
The canonical SMILES for 2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol is Cc1ccccc1CC(C)(CO)C(C)C.
What is the InChIKey of 2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol?
The InChIKey is HMDKWEPTVAFZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11(2)14(4,10-15)9-13-8-6-5-7-12(13)3/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of 2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol?
2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol is sourced from PubChem (CID 83151379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).