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

C15H10Cl2O — CID 500463

IUPAC6-chloro-3-(4-chlorophenyl)-2H-chromene
SMILESClc1ccc(C2=Cc3cc(Cl)ccc3OC2)cc1
InChIInChI=1S/C15H10Cl2O/c16-13-3-1-10(2-4-13)12-7-11-8-14(17)5-6-15(11)18-9-12/h1-8H,9H2
InChIKeyCQAYJFSMVNBNIW-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.93
Rot. Bonds1

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

6-chloro-3-(4-chlorophenyl)-2H-chromene (PubChem CID 500463) has the molecular formula C15H10Cl2O and a molecular weight of 277.15 g/mol. Its IUPAC name is 6-chloro-3-(4-chlorophenyl)-2H-chromene.

Molecular Properties

Compound Name6-chloro-3-(4-chlorophenyl)-2H-chromene
PubChem CID500463
Molecular FormulaC15H10Cl2O
Molecular Weight277.15 g/mol
Exact Mass276.01
IUPAC Name6-chloro-3-(4-chlorophenyl)-2H-chromene
SMILESClc1ccc(C2=Cc3cc(Cl)ccc3OC2)cc1
InChIInChI=1S/C15H10Cl2O/c16-13-3-1-10(2-4-13)12-7-11-8-14(17)5-6-15(11)18-9-12/h1-8H,9H2
InChIKeyCQAYJFSMVNBNIW-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.93
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 6-chloro-3-(4-chlorophenyl)-2H-chromene?
The IUPAC name of 6-chloro-3-(4-chlorophenyl)-2H-chromene (CID 500463) is 6-chloro-3-(4-chlorophenyl)-2H-chromene.
What is the SMILES notation for 6-chloro-3-(4-chlorophenyl)-2H-chromene?
The canonical SMILES for 6-chloro-3-(4-chlorophenyl)-2H-chromene is Clc1ccc(C2=Cc3cc(Cl)ccc3OC2)cc1.
What is the InChIKey of 6-chloro-3-(4-chlorophenyl)-2H-chromene?
The InChIKey is CQAYJFSMVNBNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O/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 6-chloro-3-(4-chlorophenyl)-2H-chromene?
6-chloro-3-(4-chlorophenyl)-2H-chromene has a molecular weight of 277.15 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-chlorophenyl)-2H-chromene is sourced from PubChem (CID 500463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).