2,3-bis(4-hydroxyphenyl)prop-2-enal

C15H12O3 — CID 173418235

IUPAC2,3-bis(4-hydroxyphenyl)prop-2-enal
SMILESO=CC(=Cc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H12O3/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-10,17-18H
InChIKeyXKXZQOMDVUMCPG-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.84
Rot. Bonds3

About 2,3-bis(4-hydroxyphenyl)prop-2-enal

2,3-bis(4-hydroxyphenyl)prop-2-enal (PubChem CID 173418235) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2,3-bis(4-hydroxyphenyl)prop-2-enal.

Molecular Properties

Compound Name2,3-bis(4-hydroxyphenyl)prop-2-enal
PubChem CID173418235
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2,3-bis(4-hydroxyphenyl)prop-2-enal
SMILESO=CC(=Cc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H12O3/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-10,17-18H
InChIKeyXKXZQOMDVUMCPG-UHFFFAOYSA-N
XLogP2.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.84
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-hydroxyphenyl)prop-2-enal?
The IUPAC name of 2,3-bis(4-hydroxyphenyl)prop-2-enal (CID 173418235) is 2,3-bis(4-hydroxyphenyl)prop-2-enal.
What is the SMILES notation for 2,3-bis(4-hydroxyphenyl)prop-2-enal?
The canonical SMILES for 2,3-bis(4-hydroxyphenyl)prop-2-enal is O=CC(=Cc1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 2,3-bis(4-hydroxyphenyl)prop-2-enal?
The InChIKey is XKXZQOMDVUMCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-10,17-18H.
What are the key properties of 2,3-bis(4-hydroxyphenyl)prop-2-enal?
2,3-bis(4-hydroxyphenyl)prop-2-enal has a molecular weight of 240.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-hydroxyphenyl)prop-2-enal is sourced from PubChem (CID 173418235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).