1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene

C20H17ClSe — CID 177449850

IUPAC1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene
SMILESCc1ccc(/C([Se]c2ccccc2)=C(\Cl)C2C=CC=C2)cc1
InChIInChI=1S/C20H17ClSe/c1-15-11-13-17(14-12-15)20(19(21)16-7-5-6-8-16)22-18-9-3-2-4-10-18/h2-14,16H,1H3/b20-19+
InChIKeyIGQXIPZCLIIXKB-FMQUCBEESA-N
MW371.77 g/mol
LogP4.67
Rot. Bonds4

About 1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene

1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene (PubChem CID 177449850) has the molecular formula C20H17ClSe and a molecular weight of 371.77 g/mol. Its IUPAC name is 1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene
PubChem CID177449850
Molecular FormulaC20H17ClSe
Molecular Weight371.77 g/mol
Exact Mass372.02
IUPAC Name1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene
SMILESCc1ccc(/C([Se]c2ccccc2)=C(\Cl)C2C=CC=C2)cc1
InChIInChI=1S/C20H17ClSe/c1-15-11-13-17(14-12-15)20(19(21)16-7-5-6-8-16)22-18-9-3-2-4-10-18/h2-14,16H,1H3/b20-19+
InChIKeyIGQXIPZCLIIXKB-FMQUCBEESA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.77
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]benzene
CID 177410558
cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone
CID 15327731
1-cyclopenta-2,4-dien-1-yl-N-(4-methylphenyl)-1-phenylmethanimine
CID 15182209
1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene
CID 71551226
1-(4-methylphenyl)-3,3-bis(methylsulfanyl)-2-phenylselanylprop-2-en-1-one
CID 122370955
1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene
CID 100919311
1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene
CID 15417412
benzene;bis(1,4-xylene)
CID 159472747
(1S)-7-(4-methylphenyl)-8-phenylbicyclo[4.2.1]nona-2,4,7-triene
CID 102499927
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
CID 101391865
benzoic acid;4-methylbenzoic acid
CID 71272637

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene?
The IUPAC name of 1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene (CID 177449850) is 1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene?
The canonical SMILES for 1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene is Cc1ccc(/C([Se]c2ccccc2)=C(\Cl)C2C=CC=C2)cc1.
What is the InChIKey of 1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene?
The InChIKey is IGQXIPZCLIIXKB-FMQUCBEESA-N. The full InChI is InChI=1S/C20H17ClSe/c1-15-11-13-17(14-12-15)20(19(21)16-7-5-6-8-16)22-18-9-3-2-4-10-18/h2-14,16H,1H3/b20-19+.
What are the key properties of 1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene?
1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene has a molecular weight of 371.77 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloro-2-cyclopenta-2,4-dien-1-yl-1-phenylselanylethenyl]-4-methylbenzene is sourced from PubChem (CID 177449850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).