6-phenyl-4H-chromene-4-carbaldehyde

C16H12O2 — CID 174790578

IUPAC6-phenyl-4H-chromene-4-carbaldehyde
SMILESO=CC1C=COc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C16H12O2/c17-11-14-8-9-18-16-7-6-13(10-15(14)16)12-4-2-1-3-5-12/h1-11,14H
InChIKeyVRJUIIIAGSODQG-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.54
Rot. Bonds2

About 6-phenyl-4H-chromene-4-carbaldehyde

6-phenyl-4H-chromene-4-carbaldehyde (PubChem CID 174790578) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-phenyl-4H-chromene-4-carbaldehyde.

Molecular Properties

Compound Name6-phenyl-4H-chromene-4-carbaldehyde
PubChem CID174790578
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name6-phenyl-4H-chromene-4-carbaldehyde
SMILESO=CC1C=COc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C16H12O2/c17-11-14-8-9-18-16-7-6-13(10-15(14)16)12-4-2-1-3-5-12/h1-11,14H
InChIKeyVRJUIIIAGSODQG-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4H-chromene-4-carbaldehyde?
The IUPAC name of 6-phenyl-4H-chromene-4-carbaldehyde (CID 174790578) is 6-phenyl-4H-chromene-4-carbaldehyde.
What is the SMILES notation for 6-phenyl-4H-chromene-4-carbaldehyde?
The canonical SMILES for 6-phenyl-4H-chromene-4-carbaldehyde is O=CC1C=COc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 6-phenyl-4H-chromene-4-carbaldehyde?
The InChIKey is VRJUIIIAGSODQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c17-11-14-8-9-18-16-7-6-13(10-15(14)16)12-4-2-1-3-5-12/h1-11,14H.
What are the key properties of 6-phenyl-4H-chromene-4-carbaldehyde?
6-phenyl-4H-chromene-4-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4H-chromene-4-carbaldehyde is sourced from PubChem (CID 174790578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).