2-(4-ethenylphenyl)ethane-1,1-diol

C10H12O2 — CID 166912920

IUPAC2-(4-ethenylphenyl)ethane-1,1-diol
SMILESC=Cc1ccc(CC(O)O)cc1
InChIInChI=1S/C10H12O2/c1-2-8-3-5-9(6-4-8)7-10(11)12/h2-6,10-12H,1,7H2
InChIKeyLYIWSFXJTNTFKR-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.18
Rot. Bonds3

About 2-(4-ethenylphenyl)ethane-1,1-diol

2-(4-ethenylphenyl)ethane-1,1-diol (PubChem CID 166912920) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)ethane-1,1-diol.

Molecular Properties

Compound Name2-(4-ethenylphenyl)ethane-1,1-diol
PubChem CID166912920
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-(4-ethenylphenyl)ethane-1,1-diol
SMILESC=Cc1ccc(CC(O)O)cc1
InChIInChI=1S/C10H12O2/c1-2-8-3-5-9(6-4-8)7-10(11)12/h2-6,10-12H,1,7H2
InChIKeyLYIWSFXJTNTFKR-UHFFFAOYSA-N
XLogP1.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)ethane-1,1-diol?
The IUPAC name of 2-(4-ethenylphenyl)ethane-1,1-diol (CID 166912920) is 2-(4-ethenylphenyl)ethane-1,1-diol.
What is the SMILES notation for 2-(4-ethenylphenyl)ethane-1,1-diol?
The canonical SMILES for 2-(4-ethenylphenyl)ethane-1,1-diol is C=Cc1ccc(CC(O)O)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)ethane-1,1-diol?
The InChIKey is LYIWSFXJTNTFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-8-3-5-9(6-4-8)7-10(11)12/h2-6,10-12H,1,7H2.
What are the key properties of 2-(4-ethenylphenyl)ethane-1,1-diol?
2-(4-ethenylphenyl)ethane-1,1-diol has a molecular weight of 164.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)ethane-1,1-diol is sourced from PubChem (CID 166912920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).