(3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene

C16H12Cl2O — CID 45268974

IUPAC(3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene
SMILESClc1ccc(/C=C2\COc3ccc(Cl)cc3C2)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/h1-7,9H,8,10H2/b12-7-
InChIKeyLBSQDYMMCAQKGQ-GHXNOFRVSA-N
MW291.18 g/mol
LogP5.01
Rot. Bonds1

About (3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene

(3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene (PubChem CID 45268974) has the molecular formula C16H12Cl2O and a molecular weight of 291.18 g/mol. Its IUPAC name is (3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene.

Molecular Properties

Compound Name(3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene
PubChem CID45268974
Molecular FormulaC16H12Cl2O
Molecular Weight291.18 g/mol
Exact Mass290.03
IUPAC Name(3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene
SMILESClc1ccc(/C=C2\COc3ccc(Cl)cc3C2)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/h1-7,9H,8,10H2/b12-7-
InChIKeyLBSQDYMMCAQKGQ-GHXNOFRVSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

6-Chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran
CID 126331
4-Chloro-2-methylanisole
CID 76748
Benzene, 1-chloro-4-(phenylmethoxy)-
CID 139062
1-Chloro-4-((4-iodobenzyl)oxy)benzene
CID 65489731
2-(4-Chlorophenyl)chromane-6-carbonitrile
CID 5272631
6-chloro-4-phenyl-2H-chromen-2-one
CID 46919141
5-Chloro-2,3-dihydro-1-benzofuran
CID 592964
1-(2-Bromoethoxy)-4-chloro-2-methylbenzene
CID 24707923
(E)-6-chloro-3-(4-chlorobenzylidene)chroman-4-one
CID 6479237
3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 45268104
(3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene
CID 45268973
6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 45268978

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene?
The IUPAC name of (3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene (CID 45268974) is (3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene.
What is the SMILES notation for (3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene?
The canonical SMILES for (3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene is Clc1ccc(/C=C2\COc3ccc(Cl)cc3C2)cc1.
What is the InChIKey of (3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene?
The InChIKey is LBSQDYMMCAQKGQ-GHXNOFRVSA-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/h1-7,9H,8,10H2/b12-7-.
What are the key properties of (3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene?
(3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene has a molecular weight of 291.18 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene is sourced from PubChem (CID 45268974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).