1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol

C12H18O2 — CID 21425202

IUPAC1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1ccc(CO)cc1
InChIInChI=1S/C12H18O2/c1-12(2,3)11(14)10-6-4-9(8-13)5-7-10/h4-7,11,13-14H,8H2,1-3H3
InChIKeyIRFTXKVOMNQXER-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.26
Rot. Bonds2

About 1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol

1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol (PubChem CID 21425202) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol
PubChem CID21425202
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1ccc(CO)cc1
InChIInChI=1S/C12H18O2/c1-12(2,3)11(14)10-6-4-9(8-13)5-7-10/h4-7,11,13-14H,8H2,1-3H3
InChIKeyIRFTXKVOMNQXER-UHFFFAOYSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(hydroxymethyl)phenyl]-2,2-dimethylbut-3-en-1-ol
CID 11344770
(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
CID 130747007
[4-(hydroxymethyl)phenyl]methanediol
CID 54533756
(1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 58172166
2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
CID 130269359
4-(1-hydroxy-2,2-dimethylpropyl)benzoic acid
CID 11820369
(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol
CID 10374791
[4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol
CID 123380059
[4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol
CID 115020728
[4-(1-aminobutyl)phenyl]methanol
CID 55282733
[4-(2,5-dimethylhexan-3-yl)phenyl]methanol
CID 58807001
(2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol
CID 106933440

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol (CID 21425202) is 1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1ccc(CO)cc1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol?
The InChIKey is IRFTXKVOMNQXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(2,3)11(14)10-6-4-9(8-13)5-7-10/h4-7,11,13-14H,8H2,1-3H3.
What are the key properties of 1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol?
1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 21425202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).