6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene

C24H19ClO2 — CID 134811754

IUPAC6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene
SMILESCOc1ccc(/C=C\C2=Cc3cc(Cl)ccc3OC2c2ccccc2)cc1
InChIInChI=1S/C24H19ClO2/c1-26-22-12-8-17(9-13-22)7-10-19-15-20-16-21(25)11-14-23(20)27-24(19)18-5-3-2-4-6-18/h2-16,24H,1H3/b10-7-
InChIKeyVVQGRYBARSIJHN-YFHOEESVSA-N
MW374.87 g/mol
LogP6.58
Rot. Bonds4

About 6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene

6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene (PubChem CID 134811754) has the molecular formula C24H19ClO2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene.

Molecular Properties

Compound Name6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene
PubChem CID134811754
Molecular FormulaC24H19ClO2
Molecular Weight374.87 g/mol
Exact Mass374.11
IUPAC Name6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene
SMILESCOc1ccc(/C=C\C2=Cc3cc(Cl)ccc3OC2c2ccccc2)cc1
InChIInChI=1S/C24H19ClO2/c1-26-22-12-8-17(9-13-22)7-10-19-15-20-16-21(25)11-14-23(20)27-24(19)18-5-3-2-4-6-18/h2-16,24H,1H3/b10-7-
InChIKeyVVQGRYBARSIJHN-YFHOEESVSA-N
XLogP6.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene?
The IUPAC name of 6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene (CID 134811754) is 6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene.
What is the SMILES notation for 6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene?
The canonical SMILES for 6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene is COc1ccc(/C=C\C2=Cc3cc(Cl)ccc3OC2c2ccccc2)cc1.
What is the InChIKey of 6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene?
The InChIKey is VVQGRYBARSIJHN-YFHOEESVSA-N. The full InChI is InChI=1S/C24H19ClO2/c1-26-22-12-8-17(9-13-22)7-10-19-15-20-16-21(25)11-14-23(20)27-24(19)18-5-3-2-4-6-18/h2-16,24H,1H3/b10-7-.
What are the key properties of 6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene?
6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene has a molecular weight of 374.87 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-2H-chromene is sourced from PubChem (CID 134811754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).