ethane-1,2-diol;(Z)-3-phenylprop-2-enal

C11H14O3 — CID 155351611

IUPACethane-1,2-diol;(Z)-3-phenylprop-2-enal
SMILESO=C/C=C\c1ccccc1.OCCO
InChIInChI=1S/C9H8O.C2H6O2/c10-8-4-7-9-5-2-1-3-6-9;3-1-2-4/h1-8H;3-4H,1-2H2/b7-4-;
InChIKeyPQJRCRCGCXAFAF-ZULQGGHCSA-N
MW194.23 g/mol
LogP0.87
Rot. Bonds3

About ethane-1,2-diol;(Z)-3-phenylprop-2-enal

ethane-1,2-diol;(Z)-3-phenylprop-2-enal (PubChem CID 155351611) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethane-1,2-diol;(Z)-3-phenylprop-2-enal.

Molecular Properties

Compound Nameethane-1,2-diol;(Z)-3-phenylprop-2-enal
PubChem CID155351611
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Nameethane-1,2-diol;(Z)-3-phenylprop-2-enal
SMILESO=C/C=C\c1ccccc1.OCCO
InChIInChI=1S/C9H8O.C2H6O2/c10-8-4-7-9-5-2-1-3-6-9;3-1-2-4/h1-8H;3-4H,1-2H2/b7-4-;
InChIKeyPQJRCRCGCXAFAF-ZULQGGHCSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;(Z)-3-phenylprop-2-enal?
The IUPAC name of ethane-1,2-diol;(Z)-3-phenylprop-2-enal (CID 155351611) is ethane-1,2-diol;(Z)-3-phenylprop-2-enal.
What is the SMILES notation for ethane-1,2-diol;(Z)-3-phenylprop-2-enal?
The canonical SMILES for ethane-1,2-diol;(Z)-3-phenylprop-2-enal is O=C/C=C\c1ccccc1.OCCO.
What is the InChIKey of ethane-1,2-diol;(Z)-3-phenylprop-2-enal?
The InChIKey is PQJRCRCGCXAFAF-ZULQGGHCSA-N. The full InChI is InChI=1S/C9H8O.C2H6O2/c10-8-4-7-9-5-2-1-3-6-9;3-1-2-4/h1-8H;3-4H,1-2H2/b7-4-;.
What are the key properties of ethane-1,2-diol;(Z)-3-phenylprop-2-enal?
ethane-1,2-diol;(Z)-3-phenylprop-2-enal has a molecular weight of 194.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;(Z)-3-phenylprop-2-enal is sourced from PubChem (CID 155351611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).