[3-(2,2-dimethylpropyl)phenyl]methanol

C12H18O — CID 23381572

IUPAC[3-(2,2-dimethylpropyl)phenyl]methanol
SMILESCC(C)(C)Cc1cccc(CO)c1
InChIInChI=1S/C12H18O/c1-12(2,3)8-10-5-4-6-11(7-10)9-13/h4-7,13H,8-9H2,1-3H3
InChIKeyHOLCJNTXHGTROL-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.77
Rot. Bonds2

About [3-(2,2-dimethylpropyl)phenyl]methanol

[3-(2,2-dimethylpropyl)phenyl]methanol (PubChem CID 23381572) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is [3-(2,2-dimethylpropyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(2,2-dimethylpropyl)phenyl]methanol
PubChem CID23381572
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name[3-(2,2-dimethylpropyl)phenyl]methanol
SMILESCC(C)(C)Cc1cccc(CO)c1
InChIInChI=1S/C12H18O/c1-12(2,3)8-10-5-4-6-11(7-10)9-13/h4-7,13H,8-9H2,1-3H3
InChIKeyHOLCJNTXHGTROL-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol
CID 126723379
[3-(2,2-dimethylpropylamino)phenyl]methanol
CID 20785829
2,2-dimethylpropylbenzene;methanol
CID 157125736
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 63310818
1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 107230534
[4-(2,2-dimethylpropyl)-2-methylphenyl]methanol
CID 118313545
cyclopropane;methyl 2-fluoro-3-[3-(hydroxymethyl)phenyl]-2-methylpropanoate
CID 142337689
[3-(2,2-dimethylpropyl)phenyl]-triphenylsilane
CID 174021636
7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
CID 141024363
1-(2,2-dimethylpropyl)-3-nitrobenzene
CID 13119626
1-tert-butylsulfonyl-3-(2,2-dimethylpropyl)benzene
CID 166779231

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dimethylpropyl)phenyl]methanol?
The IUPAC name of [3-(2,2-dimethylpropyl)phenyl]methanol (CID 23381572) is [3-(2,2-dimethylpropyl)phenyl]methanol.
What is the SMILES notation for [3-(2,2-dimethylpropyl)phenyl]methanol?
The canonical SMILES for [3-(2,2-dimethylpropyl)phenyl]methanol is CC(C)(C)Cc1cccc(CO)c1.
What is the InChIKey of [3-(2,2-dimethylpropyl)phenyl]methanol?
The InChIKey is HOLCJNTXHGTROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-12(2,3)8-10-5-4-6-11(7-10)9-13/h4-7,13H,8-9H2,1-3H3.
What are the key properties of [3-(2,2-dimethylpropyl)phenyl]methanol?
[3-(2,2-dimethylpropyl)phenyl]methanol has a molecular weight of 178.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethylpropyl)phenyl]methanol is sourced from PubChem (CID 23381572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).