3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal

C15H12O3 — CID 153436241

IUPAC3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal
SMILESO=CC=Cc1ccccc1-c1c(O)cccc1O
InChIInChI=1S/C15H12O3/c16-10-4-6-11-5-1-2-7-12(11)15-13(17)8-3-9-14(15)18/h1-10,17-18H
InChIKeyPJEQHPUQAUGZNY-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.98
Rot. Bonds3

About 3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal

3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal (PubChem CID 153436241) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal.

Molecular Properties

Compound Name3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal
PubChem CID153436241
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal
SMILESO=CC=Cc1ccccc1-c1c(O)cccc1O
InChIInChI=1S/C15H12O3/c16-10-4-6-11-5-1-2-7-12(11)15-13(17)8-3-9-14(15)18/h1-10,17-18H
InChIKeyPJEQHPUQAUGZNY-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal?
The IUPAC name of 3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal (CID 153436241) is 3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal.
What is the SMILES notation for 3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal?
The canonical SMILES for 3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal is O=CC=Cc1ccccc1-c1c(O)cccc1O.
What is the InChIKey of 3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal?
The InChIKey is PJEQHPUQAUGZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-10-4-6-11-5-1-2-7-12(11)15-13(17)8-3-9-14(15)18/h1-10,17-18H.
What are the key properties of 3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal?
3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal has a molecular weight of 240.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dihydroxyphenyl)phenyl]prop-2-enal is sourced from PubChem (CID 153436241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).