2-(4-hydroxyphenyl)butane-1,4-diol

C10H14O3 — CID 139687433

IUPAC2-(4-hydroxyphenyl)butane-1,4-diol
SMILESOCCC(CO)c1ccc(O)cc1
InChIInChI=1S/C10H14O3/c11-6-5-9(7-12)8-1-3-10(13)4-2-8/h1-4,9,11-13H,5-7H2
InChIKeyCBHFBYKSUTZJMS-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.85
Rot. Bonds4

About 2-(4-hydroxyphenyl)butane-1,4-diol

2-(4-hydroxyphenyl)butane-1,4-diol (PubChem CID 139687433) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)butane-1,4-diol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)butane-1,4-diol
PubChem CID139687433
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-(4-hydroxyphenyl)butane-1,4-diol
SMILESOCCC(CO)c1ccc(O)cc1
InChIInChI=1S/C10H14O3/c11-6-5-9(7-12)8-1-3-10(13)4-2-8/h1-4,9,11-13H,5-7H2
InChIKeyCBHFBYKSUTZJMS-UHFFFAOYSA-N
XLogP0.85
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydrazinyl-3-hydroxypropan-2-yl)phenol
CID 105440037
4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol
CID 78166649
(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
(1R)-1-(4-hydroxyphenyl)butane-1,4-diol
CID 23836266
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol
CID 163777364
6-(1-hydroxypentan-3-yl)naphthalen-2-ol
CID 69467635
4-undecan-6-ylphenol
CID 66867197
(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol
CID 141239504
4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol
CID 117244973
4-(1-cyclobutyl-3-hydroxypropyl)phenol
CID 115024794
4-amino-2-(4-fluorophenyl)butan-1-ol
CID 115016455

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)butane-1,4-diol?
The IUPAC name of 2-(4-hydroxyphenyl)butane-1,4-diol (CID 139687433) is 2-(4-hydroxyphenyl)butane-1,4-diol.
What is the SMILES notation for 2-(4-hydroxyphenyl)butane-1,4-diol?
The canonical SMILES for 2-(4-hydroxyphenyl)butane-1,4-diol is OCCC(CO)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)butane-1,4-diol?
The InChIKey is CBHFBYKSUTZJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-6-5-9(7-12)8-1-3-10(13)4-2-8/h1-4,9,11-13H,5-7H2.
What are the key properties of 2-(4-hydroxyphenyl)butane-1,4-diol?
2-(4-hydroxyphenyl)butane-1,4-diol has a molecular weight of 182.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)butane-1,4-diol is sourced from PubChem (CID 139687433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).