3-(4-bromophenyl)-6-chloro-2H-chromene

C15H10BrClO — CID 3009217

IUPAC3-(4-bromophenyl)-6-chloro-2H-chromene
SMILESClc1ccc2c(c1)C=C(c1ccc(Br)cc1)CO2
InChIInChI=1S/C15H10BrClO/c16-13-3-1-10(2-4-13)12-7-11-8-14(17)5-6-15(11)18-9-12/h1-8H,9H2
InChIKeyKWAKVJZFAVKZLT-UHFFFAOYSA-N
MW321.60 g/mol
LogP5.04
Rot. Bonds1

About 3-(4-bromophenyl)-6-chloro-2H-chromene

3-(4-bromophenyl)-6-chloro-2H-chromene (PubChem CID 3009217) has the molecular formula C15H10BrClO and a molecular weight of 321.60 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-chloro-2H-chromene.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-chloro-2H-chromene
PubChem CID3009217
Molecular FormulaC15H10BrClO
Molecular Weight321.60 g/mol
Exact Mass319.96
IUPAC Name3-(4-bromophenyl)-6-chloro-2H-chromene
SMILESClc1ccc2c(c1)C=C(c1ccc(Br)cc1)CO2
InChIInChI=1S/C15H10BrClO/c16-13-3-1-10(2-4-13)12-7-11-8-14(17)5-6-15(11)18-9-12/h1-8H,9H2
InChIKeyKWAKVJZFAVKZLT-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.60
LogP ≤ 55.04
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-bromophenyl)-6-chloro-2H-chromene?
The IUPAC name of 3-(4-bromophenyl)-6-chloro-2H-chromene (CID 3009217) is 3-(4-bromophenyl)-6-chloro-2H-chromene.
What is the SMILES notation for 3-(4-bromophenyl)-6-chloro-2H-chromene?
The canonical SMILES for 3-(4-bromophenyl)-6-chloro-2H-chromene is Clc1ccc2c(c1)C=C(c1ccc(Br)cc1)CO2.
What is the InChIKey of 3-(4-bromophenyl)-6-chloro-2H-chromene?
The InChIKey is KWAKVJZFAVKZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClO/c16-13-3-1-10(2-4-13)12-7-11-8-14(17)5-6-15(11)18-9-12/h1-8H,9H2.
What are the key properties of 3-(4-bromophenyl)-6-chloro-2H-chromene?
3-(4-bromophenyl)-6-chloro-2H-chromene has a molecular weight of 321.60 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-chloro-2H-chromene is sourced from PubChem (CID 3009217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).