1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene

C21H19Br — CID 101481272

IUPAC1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene
SMILESCC/C(C1=CC=CC1)=C(\c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H19Br/c1-2-20(16-8-6-7-9-16)21(17-10-4-3-5-11-17)18-12-14-19(22)15-13-18/h3-8,10-15H,2,9H2,1H3/b21-20-
InChIKeyYRVYVCGXJAVAOH-MRCUWXFGSA-N
MW351.29 g/mol
LogP6.55
Rot. Bonds4

About 1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene

1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene (PubChem CID 101481272) has the molecular formula C21H19Br and a molecular weight of 351.29 g/mol. Its IUPAC name is 1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene
PubChem CID101481272
Molecular FormulaC21H19Br
Molecular Weight351.29 g/mol
Exact Mass350.07
IUPAC Name1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene
SMILESCC/C(C1=CC=CC1)=C(\c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H19Br/c1-2-20(16-8-6-7-9-16)21(17-10-4-3-5-11-17)18-12-14-19(22)15-13-18/h3-8,10-15H,2,9H2,1H3/b21-20-
InChIKeyYRVYVCGXJAVAOH-MRCUWXFGSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.29
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene
CID 6376326
1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene
CID 15039495
1-[(Z)-1-(4-bromophenyl)-2-(4-propoxyphenyl)pent-2-en-3-yl]cyclohepta-1,3,5-triene
CID 143961126
4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
CID 72701917
1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
CID 143267176
4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 118056063
1-chloro-4-[(Z)-2-(2-methylphenyl)-1-phenylbut-1-enyl]benzene
CID 139051346
ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate
CID 118056056
N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline
CID 132556766
4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol
CID 141454768
1-bromo-4-[1-(4-octoxyphenyl)-2,2-diphenylethenyl]benzene
CID 134249125
1-(5-bromopentoxy)-4-(1,2-diphenylbut-1-enyl)benzene
CID 67653107

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene?
The IUPAC name of 1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene (CID 101481272) is 1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene.
What is the SMILES notation for 1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene?
The canonical SMILES for 1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene is CC/C(C1=CC=CC1)=C(\c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene?
The InChIKey is YRVYVCGXJAVAOH-MRCUWXFGSA-N. The full InChI is InChI=1S/C21H19Br/c1-2-20(16-8-6-7-9-16)21(17-10-4-3-5-11-17)18-12-14-19(22)15-13-18/h3-8,10-15H,2,9H2,1H3/b21-20-.
What are the key properties of 1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene?
1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene has a molecular weight of 351.29 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene is sourced from PubChem (CID 101481272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).