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

C15H13Cl — CID 15417412

IUPAC1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene
SMILESCc1ccc(/C(Cl)=C/c2ccccc2)cc1
InChIInChI=1S/C15H13Cl/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h2-11H,1H3/b15-11-
InChIKeyWQMCYMIOKLFZMZ-PTNGSMBKSA-N
MW228.72 g/mol
LogP4.73
Rot. Bonds2

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

1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene (PubChem CID 15417412) has the molecular formula C15H13Cl and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene
PubChem CID15417412
Molecular FormulaC15H13Cl
Molecular Weight228.72 g/mol
Exact Mass228.07
IUPAC Name1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene
SMILESCc1ccc(/C(Cl)=C/c2ccccc2)cc1
InChIInChI=1S/C15H13Cl/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h2-11H,1H3/b15-11-
InChIKeyWQMCYMIOKLFZMZ-PTNGSMBKSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(1-chloro-2-phenylethenyl)-N-methylaniline
CID 54059464
1-[(Z)-1-bromo-2-phenylethenyl]-4-methylbenzene
CID 15417413
(E)-2-(4-methylphenyl)-3-phenylprop-2-en-1-ol
CID 71219212
(2E,4Z)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 51661966
(2E,4E)-4-methyl-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 1236722
1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene
CID 819514
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
1-[(E)-2-bromo-2-phenylethenyl]-4-methylbenzene
CID 102070400
[3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-2-yl]phosphonic acid
CID 66796627
[(E)-1,2-bis(4-methylphenyl)ethenyl]-diphenylphosphane
CID 102403237
1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene
CID 100919311
(E)-3-chloro-3-(4-methylphenyl)prop-2-enal
CID 11412730

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene?
The IUPAC name of 1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene (CID 15417412) is 1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene?
The canonical SMILES for 1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene is Cc1ccc(/C(Cl)=C/c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene?
The InChIKey is WQMCYMIOKLFZMZ-PTNGSMBKSA-N. The full InChI is InChI=1S/C15H13Cl/c1-12-7-9-14(10-8-12)15(16)11-13-5-3-2-4-6-13/h2-11H,1H3/b15-11-.
What are the key properties of 1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene?
1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene has a molecular weight of 228.72 g/mol, XLogP of 4.73, 2 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-phenylethenyl]-4-methylbenzene is sourced from PubChem (CID 15417412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).