6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene

C16H12Cl2O — CID 45272388

IUPAC6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene
SMILESClc1ccc(CC2=Cc3cc(Cl)ccc3OC2)cc1
InChIInChI=1S/C16H12Cl2O/c17-14-3-1-11(2-4-14)7-12-8-13-9-15(18)5-6-16(13)19-10-12/h1-6,8-9H,7,10H2
InChIKeyATQOIMSLVRUTFC-UHFFFAOYSA-N
MW291.18 g/mol
LogP5.01
Rot. Bonds2

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

6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene (PubChem CID 45272388) has the molecular formula C16H12Cl2O and a molecular weight of 291.18 g/mol. Its IUPAC name is 6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene.

Molecular Properties

Compound Name6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene
PubChem CID45272388
Molecular FormulaC16H12Cl2O
Molecular Weight291.18 g/mol
Exact Mass290.03
IUPAC Name6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene
SMILESClc1ccc(CC2=Cc3cc(Cl)ccc3OC2)cc1
InChIInChI=1S/C16H12Cl2O/c17-14-3-1-11(2-4-14)7-12-8-13-9-15(18)5-6-16(13)19-10-12/h1-6,8-9H,7,10H2
InChIKeyATQOIMSLVRUTFC-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.18
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene?
The IUPAC name of 6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene (CID 45272388) is 6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene.
What is the SMILES notation for 6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene?
The canonical SMILES for 6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene is Clc1ccc(CC2=Cc3cc(Cl)ccc3OC2)cc1.
What is the InChIKey of 6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene?
The InChIKey is ATQOIMSLVRUTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O/c17-14-3-1-11(2-4-14)7-12-8-13-9-15(18)5-6-16(13)19-10-12/h1-6,8-9H,7,10H2.
What are the key properties of 6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene?
6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene has a molecular weight of 291.18 g/mol, XLogP of 5.01, 2 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)methyl]-2H-chromene is sourced from PubChem (CID 45272388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).