(E)-4-phenylbut-3-ene-1,2-diol

C10H12O2 — CID 5358441

IUPAC(E)-4-phenylbut-3-ene-1,2-diol
SMILESOCC(O)/C=C/c1ccccc1
InChIInChI=1S/C10H12O2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-7,10-12H,8H2/b7-6+
InChIKeyNIKBSMYNKTUHIF-VOTSOKGWSA-N
MW164.20 g/mol
LogP1.05
Rot. Bonds3

About (E)-4-phenylbut-3-ene-1,2-diol

(E)-4-phenylbut-3-ene-1,2-diol (PubChem CID 5358441) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (E)-4-phenylbut-3-ene-1,2-diol.

Molecular Properties

Compound Name(E)-4-phenylbut-3-ene-1,2-diol
PubChem CID5358441
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(E)-4-phenylbut-3-ene-1,2-diol
SMILESOCC(O)/C=C/c1ccccc1
InChIInChI=1S/C10H12O2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-7,10-12H,8H2/b7-6+
InChIKeyNIKBSMYNKTUHIF-VOTSOKGWSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-phenylbut-3-ene-1,2-diol?
The IUPAC name of (E)-4-phenylbut-3-ene-1,2-diol (CID 5358441) is (E)-4-phenylbut-3-ene-1,2-diol.
What is the SMILES notation for (E)-4-phenylbut-3-ene-1,2-diol?
The canonical SMILES for (E)-4-phenylbut-3-ene-1,2-diol is OCC(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-4-phenylbut-3-ene-1,2-diol?
The InChIKey is NIKBSMYNKTUHIF-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H12O2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-7,10-12H,8H2/b7-6+.
What are the key properties of (E)-4-phenylbut-3-ene-1,2-diol?
(E)-4-phenylbut-3-ene-1,2-diol has a molecular weight of 164.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenylbut-3-ene-1,2-diol is sourced from PubChem (CID 5358441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).