2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene

C28H23BrO — CID 13167349

IUPAC2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2ccc(C)cc2/C(=C(\Br)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H23BrO/c1-20-13-16-24(17-14-20)30-26-18-15-21(2)19-25(26)27(22-9-5-3-6-10-22)28(29)23-11-7-4-8-12-23/h3-19H,1-2H3/b28-27-
InChIKeyZEAIUTYLKINILO-DQSJHHFOSA-N
MW455.40 g/mol
LogP8.41
Rot. Bonds5

About 2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene

2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene (PubChem CID 13167349) has the molecular formula C28H23BrO and a molecular weight of 455.40 g/mol. Its IUPAC name is 2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene.

Molecular Properties

Compound Name2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene
PubChem CID13167349
Molecular FormulaC28H23BrO
Molecular Weight455.40 g/mol
Exact Mass454.09
IUPAC Name2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2ccc(C)cc2/C(=C(\Br)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H23BrO/c1-20-13-16-24(17-14-20)30-26-18-15-21(2)19-25(26)27(22-9-5-3-6-10-22)28(29)23-11-7-4-8-12-23/h3-19H,1-2H3/b28-27-
InChIKeyZEAIUTYLKINILO-DQSJHHFOSA-N
XLogP8.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.40
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Biphenylyl phenyl ether
CID 81220
1,1'-Biphenyl, mixt. with 1,1'-oxybis(benzene)
CID 24670
((3-(sec-Butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene
CID 129318102
Benzene, decylphenoxy-
CID 112304
3H-Naphtho[2,1-b]pyran, 3,3-diphenyl-
CID 3104870
Magreth-19
CID 54592215
1,1',1'',1'''-(1,2-Ethenediylidene)tetrakis(4-methoxybenzene)
CID 24797
Benzene, 1,1'-(1,2-ethanediyl)bis(3-phenoxy-
CID 3046200
Riccardin C derivative, 19f
CID 24860510
2,4-diphenyl-4H-chromene
CID 4524534
[Phenoxy(diphenyl)methyl]benzene
CID 226770
4,4'-Diphenoxy-1,1'-biphenyl
CID 297555

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene?
The IUPAC name of 2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene (CID 13167349) is 2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene.
What is the SMILES notation for 2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene?
The canonical SMILES for 2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene is Cc1ccc(Oc2ccc(C)cc2/C(=C(\Br)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene?
The InChIKey is ZEAIUTYLKINILO-DQSJHHFOSA-N. The full InChI is InChI=1S/C28H23BrO/c1-20-13-16-24(17-14-20)30-26-18-15-21(2)19-25(26)27(22-9-5-3-6-10-22)28(29)23-11-7-4-8-12-23/h3-19H,1-2H3/b28-27-.
What are the key properties of 2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene?
2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene has a molecular weight of 455.40 g/mol, XLogP of 8.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-bromo-1,2-diphenylethenyl]-4-methyl-1-(4-methylphenoxy)benzene is sourced from PubChem (CID 13167349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).