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

C16H14Cl2O — CID 45268978

IUPAC6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
SMILESClc1ccc(CC2COc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C16H14Cl2O/c17-14-3-1-11(2-4-14)7-12-8-13-9-15(18)5-6-16(13)19-10-12/h1-6,9,12H,7-8,10H2
InChIKeyJOWBFAKRWPERIN-UHFFFAOYSA-N
MW293.19 g/mol
LogP4.79
Rot. Bonds2

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

6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 45268978) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
PubChem CID45268978
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
SMILESClc1ccc(CC2COc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C16H14Cl2O/c17-14-3-1-11(2-4-14)7-12-8-13-9-15(18)5-6-16(13)19-10-12/h1-6,9,12H,7-8,10H2
InChIKeyJOWBFAKRWPERIN-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran
CID 126331
Benzene, 1-chloro-4-(phenylmethoxy)-
CID 139062
3-benzyl-3,4-dihydro-2H-chromene
CID 15331838
2-(4-Chlorophenyl)chromane-6-carbonitrile
CID 5272631
6-chloro-4-phenyl-2H-chromen-2-one
CID 46919141
3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 45268104
(3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene
CID 45268973
(3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene
CID 45268974
3-[(4-chlorophenyl)methyl]-2H-chromene
CID 45272387
6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene
CID 45272388
3-[(E)-2-(4-chlorophenyl)vinyl]-2H-chromene
CID 52941811
6-chloro-3-[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]-2H-chromene
CID 52942006

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene (CID 45268978) is 6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene is Clc1ccc(CC2COc3ccc(Cl)cc3C2)cc1.
What is the InChIKey of 6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is JOWBFAKRWPERIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c17-14-3-1-11(2-4-14)7-12-8-13-9-15(18)5-6-16(13)19-10-12/h1-6,9,12H,7-8,10H2.
What are the key properties of 6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene?
6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 293.19 g/mol, XLogP of 4.79, 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]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 45268978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).