4-ethenylbenzene-1,3-diol

C8H8O2 — CID 10374511

IUPAC4-ethenylbenzene-1,3-diol
SMILESC=Cc1ccc(O)cc1O
InChIInChI=1S/C8H8O2/c1-2-6-3-4-7(9)5-8(6)10/h2-5,9-10H,1H2
InChIKeyCGVSVWWXNAFRRH-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.74
Rot. Bonds1

About 4-ethenylbenzene-1,3-diol

4-ethenylbenzene-1,3-diol (PubChem CID 10374511) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 4-ethenylbenzene-1,3-diol.

Molecular Properties

Compound Name4-ethenylbenzene-1,3-diol
PubChem CID10374511
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name4-ethenylbenzene-1,3-diol
SMILESC=Cc1ccc(O)cc1O
InChIInChI=1S/C8H8O2/c1-2-6-3-4-7(9)5-8(6)10/h2-5,9-10H,1H2
InChIKeyCGVSVWWXNAFRRH-UHFFFAOYSA-N
XLogP1.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylbenzene-1,3-diol?
The IUPAC name of 4-ethenylbenzene-1,3-diol (CID 10374511) is 4-ethenylbenzene-1,3-diol.
What is the SMILES notation for 4-ethenylbenzene-1,3-diol?
The canonical SMILES for 4-ethenylbenzene-1,3-diol is C=Cc1ccc(O)cc1O.
What is the InChIKey of 4-ethenylbenzene-1,3-diol?
The InChIKey is CGVSVWWXNAFRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-2-6-3-4-7(9)5-8(6)10/h2-5,9-10H,1H2.
What are the key properties of 4-ethenylbenzene-1,3-diol?
4-ethenylbenzene-1,3-diol has a molecular weight of 136.15 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylbenzene-1,3-diol is sourced from PubChem (CID 10374511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).