4-(2-hydroxyphenyl)but-2-ene-1,1-diol

C10H12O3 — CID 57232134

IUPAC4-(2-hydroxyphenyl)but-2-ene-1,1-diol
SMILESOc1ccccc1CC=CC(O)O
InChIInChI=1S/C10H12O3/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h1-4,6-7,10-13H,5H2
InChIKeySIYHMIXXCQIYOX-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.80
Rot. Bonds3

About 4-(2-hydroxyphenyl)but-2-ene-1,1-diol

4-(2-hydroxyphenyl)but-2-ene-1,1-diol (PubChem CID 57232134) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)but-2-ene-1,1-diol.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)but-2-ene-1,1-diol
PubChem CID57232134
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name4-(2-hydroxyphenyl)but-2-ene-1,1-diol
SMILESOc1ccccc1CC=CC(O)O
InChIInChI=1S/C10H12O3/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h1-4,6-7,10-13H,5H2
InChIKeySIYHMIXXCQIYOX-UHFFFAOYSA-N
XLogP0.80
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpenta-2,4-dienyl)phenol
CID 141457123
2-(3-ethoxyprop-2-enyl)phenol
CID 66692750
2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol
CID 162361533
2-(2-iminoethyl)phenol
CID 90112038
2-(2-methyliminoethyl)phenol
CID 15310524
boric acid;2-prop-2-enylphenol
CID 70457137
2-[(E)-5-hydroxypent-3-enyl]phenol
CID 57337479
3-(2-hydroxyphenyl)prop-2-ene-1,1-diol
CID 57308836
CID 175749710
CID 175749710
2-[(E)-hex-3-enyl]phenol
CID 21272840
formaldehyde;2-(hydroxymethyl)phenol
CID 69155710
2-hydroxy-4-(2-hydroxyphenyl)butanal
CID 105438618

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)but-2-ene-1,1-diol?
The IUPAC name of 4-(2-hydroxyphenyl)but-2-ene-1,1-diol (CID 57232134) is 4-(2-hydroxyphenyl)but-2-ene-1,1-diol.
What is the SMILES notation for 4-(2-hydroxyphenyl)but-2-ene-1,1-diol?
The canonical SMILES for 4-(2-hydroxyphenyl)but-2-ene-1,1-diol is Oc1ccccc1CC=CC(O)O.
What is the InChIKey of 4-(2-hydroxyphenyl)but-2-ene-1,1-diol?
The InChIKey is SIYHMIXXCQIYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h1-4,6-7,10-13H,5H2.
What are the key properties of 4-(2-hydroxyphenyl)but-2-ene-1,1-diol?
4-(2-hydroxyphenyl)but-2-ene-1,1-diol has a molecular weight of 180.20 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)but-2-ene-1,1-diol is sourced from PubChem (CID 57232134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).