(2E)-2-benzylidenebutane-1,4-diol

C11H14O2 — CID 14715251

IUPAC(2E)-2-benzylidenebutane-1,4-diol
SMILESOCC/C(=C\c1ccccc1)CO
InChIInChI=1S/C11H14O2/c12-7-6-11(9-13)8-10-4-2-1-3-5-10/h1-5,8,12-13H,6-7,9H2/b11-8+
InChIKeyPPYYXQAOODXXRG-DHZHZOJOSA-N
MW178.23 g/mol
LogP1.44
Rot. Bonds4

About (2E)-2-benzylidenebutane-1,4-diol

(2E)-2-benzylidenebutane-1,4-diol (PubChem CID 14715251) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2E)-2-benzylidenebutane-1,4-diol.

Molecular Properties

Compound Name(2E)-2-benzylidenebutane-1,4-diol
PubChem CID14715251
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2E)-2-benzylidenebutane-1,4-diol
SMILESOCC/C(=C\c1ccccc1)CO
InChIInChI=1S/C11H14O2/c12-7-6-11(9-13)8-10-4-2-1-3-5-10/h1-5,8,12-13H,6-7,9H2/b11-8+
InChIKeyPPYYXQAOODXXRG-DHZHZOJOSA-N
XLogP1.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2E)-2-benzylidenebutane-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-methoxy-4-phenylbut-3-en-1-ol
CID 134985756
3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid
CID 175448034
(Z)-5-fluoro-6-phenylhex-5-en-1-ol
CID 134863180
methyl (4Z)-4-benzylidene-7-hydroxyheptanoate
CID 134916641
(E)-3-(hydroxymethyl)-2-oxo-4-phenylbut-3-enoic acid
CID 138679673
2-(chloromethyl)but-1-enylbenzene
CID 54330617
(2E)-2-benzylidene-3-methylbutane-1,3-diol
CID 15011509
(E)-2-(4-methylphenyl)-3-phenylprop-2-en-1-ol
CID 71219212
2-(chloromethyl)oct-1-enylbenzene
CID 69226716
(Z)-4-phenylbut-3-ene-1,2,3-triol
CID 5463840
2,2-dibromo(113C)ethenylbenzene
CID 131856077
3-fluoro-1-phenylprop-1-en-2-ol
CID 172850528

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidenebutane-1,4-diol?
The IUPAC name of (2E)-2-benzylidenebutane-1,4-diol (CID 14715251) is (2E)-2-benzylidenebutane-1,4-diol.
What is the SMILES notation for (2E)-2-benzylidenebutane-1,4-diol?
The canonical SMILES for (2E)-2-benzylidenebutane-1,4-diol is OCC/C(=C\c1ccccc1)CO.
What is the InChIKey of (2E)-2-benzylidenebutane-1,4-diol?
The InChIKey is PPYYXQAOODXXRG-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H14O2/c12-7-6-11(9-13)8-10-4-2-1-3-5-10/h1-5,8,12-13H,6-7,9H2/b11-8+.
What are the key properties of (2E)-2-benzylidenebutane-1,4-diol?
(2E)-2-benzylidenebutane-1,4-diol has a molecular weight of 178.23 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidenebutane-1,4-diol is sourced from PubChem (CID 14715251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).