1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol

C14H22O — CID 61100605

IUPAC1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol
SMILESCc1ccc(C(O)CC(C)(C)C)c(C)c1
InChIInChI=1S/C14H22O/c1-10-6-7-12(11(2)8-10)13(15)9-14(3,4)5/h6-8,13,15H,9H2,1-5H3
InChIKeyHRJLEJDCLNYKOE-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.77
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol

1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol (PubChem CID 61100605) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol
PubChem CID61100605
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol
SMILESCc1ccc(C(O)CC(C)(C)C)c(C)c1
InChIInChI=1S/C14H22O/c1-10-6-7-12(11(2)8-10)13(15)9-14(3,4)5/h6-8,13,15H,9H2,1-5H3
InChIKeyHRJLEJDCLNYKOE-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol
CID 63891500
1-(1-chloro-3,3-dimethylbutyl)-2,4-dimethylbenzene
CID 63430059
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 15732089
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
1-(2,4-dimethylphenyl)-3,5,5-trimethylhexan-1-amine
CID 43138783
2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol
CID 79138441
4-(2,4-dimethylphenyl)-4-hydroxybutanenitrile
CID 82075433
1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol
CID 66064203
1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol
CID 82313394
1-(2,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148088
1-(2,4-dimethylphenyl)pentane-1,2-diol
CID 103454853

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol (CID 61100605) is 1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol is Cc1ccc(C(O)CC(C)(C)C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol?
The InChIKey is HRJLEJDCLNYKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10-6-7-12(11(2)8-10)13(15)9-14(3,4)5/h6-8,13,15H,9H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol?
1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 61100605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).