4-(hydroxymethyl)-3-propan-2-ylphenol

C10H14O2 — CID 22011208

IUPAC4-(hydroxymethyl)-3-propan-2-ylphenol
SMILESCC(C)c1cc(O)ccc1CO
InChIInChI=1S/C10H14O2/c1-7(2)10-5-9(12)4-3-8(10)6-11/h3-5,7,11-12H,6H2,1-2H3
InChIKeyCFJKOYWXOPJXMT-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.01
Rot. Bonds2

About 4-(hydroxymethyl)-3-propan-2-ylphenol

4-(hydroxymethyl)-3-propan-2-ylphenol (PubChem CID 22011208) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-propan-2-ylphenol.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-propan-2-ylphenol
PubChem CID22011208
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-(hydroxymethyl)-3-propan-2-ylphenol
SMILESCC(C)c1cc(O)ccc1CO
InChIInChI=1S/C10H14O2/c1-7(2)10-5-9(12)4-3-8(10)6-11/h3-5,7,11-12H,6H2,1-2H3
InChIKeyCFJKOYWXOPJXMT-UHFFFAOYSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-4-(2,2,2-trifluoroethyl)phenol
CID 166533091
(4-ethynyl-2-propan-2-ylphenyl)methanol
CID 146231303
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
(4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol
CID 167533116
(3-propan-2-ylnaphthalen-2-yl)methanol
CID 118520230
ethane;3-propan-2-yl-4-sulfanylphenol
CID 145374319
[3-propan-2-yl-4-(sulfanylmethyl)phenyl]methanol
CID 176584339
3-bromo-4-(hydroxymethyl)phenol
CID 54447662
4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol
CID 139772711
1,2-bis(4-hydroxy-2-propan-2-ylphenyl)ethane-1,2-dione
CID 21279175
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783
3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol
CID 131128646

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-propan-2-ylphenol?
The IUPAC name of 4-(hydroxymethyl)-3-propan-2-ylphenol (CID 22011208) is 4-(hydroxymethyl)-3-propan-2-ylphenol.
What is the SMILES notation for 4-(hydroxymethyl)-3-propan-2-ylphenol?
The canonical SMILES for 4-(hydroxymethyl)-3-propan-2-ylphenol is CC(C)c1cc(O)ccc1CO.
What is the InChIKey of 4-(hydroxymethyl)-3-propan-2-ylphenol?
The InChIKey is CFJKOYWXOPJXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)10-5-9(12)4-3-8(10)6-11/h3-5,7,11-12H,6H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-3-propan-2-ylphenol?
4-(hydroxymethyl)-3-propan-2-ylphenol has a molecular weight of 166.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-propan-2-ylphenol is sourced from PubChem (CID 22011208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).