4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde

C22H14O3 — CID 45273571

IUPAC4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde
SMILESO=Cc1coc2cc(-c3ccc(-c4ccccc4)cc3)ccc2c1=O
InChIInChI=1S/C22H14O3/c23-13-19-14-25-21-12-18(10-11-20(21)22(19)24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H
InChIKeyLWZMEMOPULJQIN-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.94
Rot. Bonds3

About 4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde

4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde (PubChem CID 45273571) has the molecular formula C22H14O3 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde.

Molecular Properties

Compound Name4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde
PubChem CID45273571
Molecular FormulaC22H14O3
Molecular Weight326.35 g/mol
Exact Mass326.09
IUPAC Name4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde
SMILESO=Cc1coc2cc(-c3ccc(-c4ccccc4)cc3)ccc2c1=O
InChIInChI=1S/C22H14O3/c23-13-19-14-25-21-12-18(10-11-20(21)22(19)24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H
InChIKeyLWZMEMOPULJQIN-UHFFFAOYSA-N
XLogP4.94
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde?
The IUPAC name of 4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde (CID 45273571) is 4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde.
What is the SMILES notation for 4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde?
The canonical SMILES for 4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde is O=Cc1coc2cc(-c3ccc(-c4ccccc4)cc3)ccc2c1=O.
What is the InChIKey of 4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde?
The InChIKey is LWZMEMOPULJQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O3/c23-13-19-14-25-21-12-18(10-11-20(21)22(19)24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H.
What are the key properties of 4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde?
4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde has a molecular weight of 326.35 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7-(4-phenylphenyl)chromene-3-carbaldehyde is sourced from PubChem (CID 45273571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).