4-oxo-2-phenylchromene-8-carbaldehyde

C16H10O3 — CID 13233926

IUPAC4-oxo-2-phenylchromene-8-carbaldehyde
SMILESO=Cc1cccc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C16H10O3/c17-10-12-7-4-8-13-14(18)9-15(19-16(12)13)11-5-2-1-3-6-11/h1-10H
InChIKeyWWFOECPQUYEDTQ-UHFFFAOYSA-N
MW250.25 g/mol
LogP3.27
Rot. Bonds2

About 4-oxo-2-phenylchromene-8-carbaldehyde

4-oxo-2-phenylchromene-8-carbaldehyde (PubChem CID 13233926) has the molecular formula C16H10O3 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-oxo-2-phenylchromene-8-carbaldehyde.

Molecular Properties

Compound Name4-oxo-2-phenylchromene-8-carbaldehyde
PubChem CID13233926
Molecular FormulaC16H10O3
Molecular Weight250.25 g/mol
Exact Mass250.06
IUPAC Name4-oxo-2-phenylchromene-8-carbaldehyde
SMILESO=Cc1cccc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C16H10O3/c17-10-12-7-4-8-13-14(18)9-15(19-16(12)13)11-5-2-1-3-6-11/h1-10H
InChIKeyWWFOECPQUYEDTQ-UHFFFAOYSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 53.27
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-2-phenylchromene-8-carbaldehyde?
The IUPAC name of 4-oxo-2-phenylchromene-8-carbaldehyde (CID 13233926) is 4-oxo-2-phenylchromene-8-carbaldehyde.
What is the SMILES notation for 4-oxo-2-phenylchromene-8-carbaldehyde?
The canonical SMILES for 4-oxo-2-phenylchromene-8-carbaldehyde is O=Cc1cccc2c(=O)cc(-c3ccccc3)oc12.
What is the InChIKey of 4-oxo-2-phenylchromene-8-carbaldehyde?
The InChIKey is WWFOECPQUYEDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O3/c17-10-12-7-4-8-13-14(18)9-15(19-16(12)13)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 4-oxo-2-phenylchromene-8-carbaldehyde?
4-oxo-2-phenylchromene-8-carbaldehyde has a molecular weight of 250.25 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-phenylchromene-8-carbaldehyde is sourced from PubChem (CID 13233926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).