2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene

C15H12Cl2O — CID 503327

IUPAC2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene
SMILESClc1ccc(C2CCc3ccccc3O2)c(Cl)c1
InChIInChI=1S/C15H12Cl2O/c16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15/h1-4,6-7,9,15H,5,8H2
InChIKeyURVXCMAGSWSNLS-UHFFFAOYSA-N
MW279.17 g/mol
LogP5.06
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene

2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene (PubChem CID 503327) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene
PubChem CID503327
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene
SMILESClc1ccc(C2CCc3ccccc3O2)c(Cl)c1
InChIInChI=1S/C15H12Cl2O/c16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15/h1-4,6-7,9,15H,5,8H2
InChIKeyURVXCMAGSWSNLS-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.17
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene (CID 503327) is 2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene is Clc1ccc(C2CCc3ccccc3O2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene?
The InChIKey is URVXCMAGSWSNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15/h1-4,6-7,9,15H,5,8H2.
What are the key properties of 2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene?
2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene has a molecular weight of 279.17 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 503327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).