3-(4-chlorophenyl)-2H-chromene

C15H11ClO — CID 500462

IUPAC3-(4-chlorophenyl)-2H-chromene
SMILESClc1ccc(C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C15H11ClO/c16-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-9H,10H2
InChIKeyQGAOYMPTVPUKFA-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.27
Rot. Bonds1

About 3-(4-chlorophenyl)-2H-chromene

3-(4-chlorophenyl)-2H-chromene (PubChem CID 500462) has the molecular formula C15H11ClO and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2H-chromene.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2H-chromene
PubChem CID500462
Molecular FormulaC15H11ClO
Molecular Weight242.71 g/mol
Exact Mass242.05
IUPAC Name3-(4-chlorophenyl)-2H-chromene
SMILESClc1ccc(C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C15H11ClO/c16-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-9H,10H2
InChIKeyQGAOYMPTVPUKFA-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2H-chromene?
The IUPAC name of 3-(4-chlorophenyl)-2H-chromene (CID 500462) is 3-(4-chlorophenyl)-2H-chromene.
What is the SMILES notation for 3-(4-chlorophenyl)-2H-chromene?
The canonical SMILES for 3-(4-chlorophenyl)-2H-chromene is Clc1ccc(C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2H-chromene?
The InChIKey is QGAOYMPTVPUKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO/c16-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-9H,10H2.
What are the key properties of 3-(4-chlorophenyl)-2H-chromene?
3-(4-chlorophenyl)-2H-chromene has a molecular weight of 242.71 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2H-chromene is sourced from PubChem (CID 500462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).