6-chloro-3-phenyl-3,4-dihydro-2H-chromene

C15H13ClO — CID 500473

IUPAC6-chloro-3-phenyl-3,4-dihydro-2H-chromene
SMILESClc1ccc2c(c1)CC(c1ccccc1)CO2
InChIInChI=1S/C15H13ClO/c16-14-6-7-15-12(9-14)8-13(10-17-15)11-4-2-1-3-5-11/h1-7,9,13H,8,10H2
InChIKeyBBODCUVKQGAZAT-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.06
Rot. Bonds1

About 6-chloro-3-phenyl-3,4-dihydro-2H-chromene

6-chloro-3-phenyl-3,4-dihydro-2H-chromene (PubChem CID 500473) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 6-chloro-3-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-chloro-3-phenyl-3,4-dihydro-2H-chromene
PubChem CID500473
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name6-chloro-3-phenyl-3,4-dihydro-2H-chromene
SMILESClc1ccc2c(c1)CC(c1ccccc1)CO2
InChIInChI=1S/C15H13ClO/c16-14-6-7-15-12(9-14)8-13(10-17-15)11-4-2-1-3-5-11/h1-7,9,13H,8,10H2
InChIKeyBBODCUVKQGAZAT-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-chloro-3-phenyl-3,4-dihydro-2H-chromene (CID 500473) is 6-chloro-3-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-chloro-3-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-chloro-3-phenyl-3,4-dihydro-2H-chromene is Clc1ccc2c(c1)CC(c1ccccc1)CO2.
What is the InChIKey of 6-chloro-3-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is BBODCUVKQGAZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c16-14-6-7-15-12(9-14)8-13(10-17-15)11-4-2-1-3-5-11/h1-7,9,13H,8,10H2.
What are the key properties of 6-chloro-3-phenyl-3,4-dihydro-2H-chromene?
6-chloro-3-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 244.72 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 500473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).