2-phenylcyclopenta[b]chromene-1-carbaldehyde

C19H12O2 — CID 3390643

IUPAC2-phenylcyclopenta[b]chromene-1-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)cc2oc3ccccc3cc1-2
InChIInChI=1S/C19H12O2/c20-12-17-15(13-6-2-1-3-7-13)11-19-16(17)10-14-8-4-5-9-18(14)21-19/h1-12H
InChIKeyASILSMUZNACBBY-UHFFFAOYSA-N
MW272.30 g/mol
LogP5.02
Rot. Bonds2

About 2-phenylcyclopenta[b]chromene-1-carbaldehyde

2-phenylcyclopenta[b]chromene-1-carbaldehyde (PubChem CID 3390643) has the molecular formula C19H12O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-phenylcyclopenta[b]chromene-1-carbaldehyde.

Molecular Properties

Compound Name2-phenylcyclopenta[b]chromene-1-carbaldehyde
PubChem CID3390643
Molecular FormulaC19H12O2
Molecular Weight272.30 g/mol
Exact Mass272.08
IUPAC Name2-phenylcyclopenta[b]chromene-1-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)cc2oc3ccccc3cc1-2
InChIInChI=1S/C19H12O2/c20-12-17-15(13-6-2-1-3-7-13)11-19-16(17)10-14-8-4-5-9-18(14)21-19/h1-12H
InChIKeyASILSMUZNACBBY-UHFFFAOYSA-N
XLogP5.02
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.30
LogP ≤ 55.02
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 2-phenylcyclopenta[b]chromene-1-carbaldehyde?
The IUPAC name of 2-phenylcyclopenta[b]chromene-1-carbaldehyde (CID 3390643) is 2-phenylcyclopenta[b]chromene-1-carbaldehyde.
What is the SMILES notation for 2-phenylcyclopenta[b]chromene-1-carbaldehyde?
The canonical SMILES for 2-phenylcyclopenta[b]chromene-1-carbaldehyde is O=Cc1c(-c2ccccc2)cc2oc3ccccc3cc1-2.
What is the InChIKey of 2-phenylcyclopenta[b]chromene-1-carbaldehyde?
The InChIKey is ASILSMUZNACBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2/c20-12-17-15(13-6-2-1-3-7-13)11-19-16(17)10-14-8-4-5-9-18(14)21-19/h1-12H.
What are the key properties of 2-phenylcyclopenta[b]chromene-1-carbaldehyde?
2-phenylcyclopenta[b]chromene-1-carbaldehyde has a molecular weight of 272.30 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylcyclopenta[b]chromene-1-carbaldehyde is sourced from PubChem (CID 3390643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).