[4-(2,2-dimethylpropyl)-2-methylphenyl]methanol

C13H20O — CID 118313545

IUPAC[4-(2,2-dimethylpropyl)-2-methylphenyl]methanol
SMILESCc1cc(CC(C)(C)C)ccc1CO
InChIInChI=1S/C13H20O/c1-10-7-11(8-13(2,3)4)5-6-12(10)9-14/h5-7,14H,8-9H2,1-4H3
InChIKeyAOKOFWMZNRWDJW-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.08
Rot. Bonds2

About [4-(2,2-dimethylpropyl)-2-methylphenyl]methanol

[4-(2,2-dimethylpropyl)-2-methylphenyl]methanol (PubChem CID 118313545) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is [4-(2,2-dimethylpropyl)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(2,2-dimethylpropyl)-2-methylphenyl]methanol
PubChem CID118313545
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name[4-(2,2-dimethylpropyl)-2-methylphenyl]methanol
SMILESCc1cc(CC(C)(C)C)ccc1CO
InChIInChI=1S/C13H20O/c1-10-7-11(8-13(2,3)4)5-6-12(10)9-14/h5-7,14H,8-9H2,1-4H3
InChIKeyAOKOFWMZNRWDJW-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylpropyl)-2-methylphenyl]methanol?
The IUPAC name of [4-(2,2-dimethylpropyl)-2-methylphenyl]methanol (CID 118313545) is [4-(2,2-dimethylpropyl)-2-methylphenyl]methanol.
What is the SMILES notation for [4-(2,2-dimethylpropyl)-2-methylphenyl]methanol?
The canonical SMILES for [4-(2,2-dimethylpropyl)-2-methylphenyl]methanol is Cc1cc(CC(C)(C)C)ccc1CO.
What is the InChIKey of [4-(2,2-dimethylpropyl)-2-methylphenyl]methanol?
The InChIKey is AOKOFWMZNRWDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10-7-11(8-13(2,3)4)5-6-12(10)9-14/h5-7,14H,8-9H2,1-4H3.
What are the key properties of [4-(2,2-dimethylpropyl)-2-methylphenyl]methanol?
[4-(2,2-dimethylpropyl)-2-methylphenyl]methanol has a molecular weight of 192.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylpropyl)-2-methylphenyl]methanol is sourced from PubChem (CID 118313545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).