1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene

C22H19Cl — CID 100919311

IUPAC1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene
SMILESCc1ccc(/C(Cl)=C(\c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19Cl/c1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)22(23)20-14-10-17(2)11-15-20/h3-15H,1-2H3/b22-21-
InChIKeyMRSBSHWZGJECCK-DQRAZIAOSA-N
MW318.85 g/mol
LogP6.46
Rot. Bonds3

About 1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene

1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene (PubChem CID 100919311) has the molecular formula C22H19Cl and a molecular weight of 318.85 g/mol. Its IUPAC name is 1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene
PubChem CID100919311
Molecular FormulaC22H19Cl
Molecular Weight318.85 g/mol
Exact Mass318.12
IUPAC Name1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene
SMILESCc1ccc(/C(Cl)=C(\c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19Cl/c1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)22(23)20-14-10-17(2)11-15-20/h3-15H,1-2H3/b22-21-
InChIKeyMRSBSHWZGJECCK-DQRAZIAOSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.85
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-1,3-dichloro-2-phenylprop-1-enyl]-4-methylbenzene
CID 88704191
1-(2,2-difluoro-1-phenylethenyl)-4-methylbenzene
CID 101461718
benzoic acid;4-methylbenzoic acid
CID 71272637
1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene
CID 170669630
1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene
CID 58942110
1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
CID 101391865
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
CID 143267176
(Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile
CID 177384504
1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene
CID 164901767
1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 71363336
(1Z)-3-methyl-1-(4-methylphenyl)-1-phenylbuta-1,3-dien-2-amine
CID 170636075

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene?
The IUPAC name of 1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene (CID 100919311) is 1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene?
The canonical SMILES for 1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene is Cc1ccc(/C(Cl)=C(\c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene?
The InChIKey is MRSBSHWZGJECCK-DQRAZIAOSA-N. The full InChI is InChI=1S/C22H19Cl/c1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)22(23)20-14-10-17(2)11-15-20/h3-15H,1-2H3/b22-21-.
What are the key properties of 1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene?
1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene has a molecular weight of 318.85 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene is sourced from PubChem (CID 100919311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).