4-[2-(hydroxymethyl)butoxy]phenol

C11H16O3 — CID 117241981

IUPAC4-[2-(hydroxymethyl)butoxy]phenol
SMILESCCC(CO)COc1ccc(O)cc1
InChIInChI=1S/C11H16O3/c1-2-9(7-12)8-14-11-5-3-10(13)4-6-11/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeySTHVINIKPCKADK-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.79
Rot. Bonds5

About 4-[2-(hydroxymethyl)butoxy]phenol

4-[2-(hydroxymethyl)butoxy]phenol (PubChem CID 117241981) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)butoxy]phenol.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)butoxy]phenol
PubChem CID117241981
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-[2-(hydroxymethyl)butoxy]phenol
SMILESCCC(CO)COc1ccc(O)cc1
InChIInChI=1S/C11H16O3/c1-2-9(7-12)8-14-11-5-3-10(13)4-6-11/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeySTHVINIKPCKADK-UHFFFAOYSA-N
XLogP1.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(hydroxymethyl)butoxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2S)-2-methylbutoxy]phenol
CID 1490310
2-[(3-bromophenoxy)methyl]butan-1-ol
CID 117241907
2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol
CID 175332290
1-(chloromethyl)-4-(2-ethylbutoxy)benzene
CID 82928128
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-(2,3-difluorobutoxy)phenol
CID 67187369
1-(bromomethyl)-4-(2-ethylbutoxy)benzene
CID 82929266
2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol
CID 117244097
[4-(2-ethylheptoxy)phenyl]methanol
CID 142083933
(NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine
CID 82926938
[4-(2-ethylbutoxy)phenyl]-trifluoroboranuide
CID 82929384
4-(2-amino-3,3-dimethylbutoxy)phenol
CID 117242306

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)butoxy]phenol?
The IUPAC name of 4-[2-(hydroxymethyl)butoxy]phenol (CID 117241981) is 4-[2-(hydroxymethyl)butoxy]phenol.
What is the SMILES notation for 4-[2-(hydroxymethyl)butoxy]phenol?
The canonical SMILES for 4-[2-(hydroxymethyl)butoxy]phenol is CCC(CO)COc1ccc(O)cc1.
What is the InChIKey of 4-[2-(hydroxymethyl)butoxy]phenol?
The InChIKey is STHVINIKPCKADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-9(7-12)8-14-11-5-3-10(13)4-6-11/h3-6,9,12-13H,2,7-8H2,1H3.
What are the key properties of 4-[2-(hydroxymethyl)butoxy]phenol?
4-[2-(hydroxymethyl)butoxy]phenol has a molecular weight of 196.25 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)butoxy]phenol is sourced from PubChem (CID 117241981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).