1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene

C22H23Br — CID 134852441

IUPAC1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene
SMILESC=C(C/C=C\Cc1ccc(Br)cc1)CCC=Cc1ccccc1
InChIInChI=1S/C22H23Br/c1-19(9-5-7-13-20-11-3-2-4-12-20)10-6-8-14-21-15-17-22(23)18-16-21/h2-4,6-8,11-13,15-18H,1,5,9-10,14H2/b8-6-,13-7?
InChIKeyBEVRNNLWXNHJEY-QBXRYFARSA-N
MW367.33 g/mol
LogP6.99
Rot. Bonds8

About 1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene

1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene (PubChem CID 134852441) has the molecular formula C22H23Br and a molecular weight of 367.33 g/mol. Its IUPAC name is 1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene
PubChem CID134852441
Molecular FormulaC22H23Br
Molecular Weight367.33 g/mol
Exact Mass366.10
IUPAC Name1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene
SMILESC=C(C/C=C\Cc1ccc(Br)cc1)CCC=Cc1ccccc1
InChIInChI=1S/C22H23Br/c1-19(9-5-7-13-20-11-3-2-4-12-20)10-6-8-14-21-15-17-22(23)18-16-21/h2-4,6-8,11-13,15-18H,1,5,9-10,14H2/b8-6-,13-7?
InChIKeyBEVRNNLWXNHJEY-QBXRYFARSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.33
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-(4-bromophenyl)pent-3-enoic acid
CID 117267985
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
(E)-5-phenylpent-4-enoic acid
CID 5370650
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
4-(4-bromophenyl)but-2-en-1-ol
CID 175247472
methyl (E)-2-methylidene-6-phenylhex-5-enoate
CID 58412278
(E)-6-(4-bromophenyl)hex-5-enoic acid
CID 14939379
1-bromo-4-[(1E)-hexa-1,5-dienyl]benzene
CID 101128597
1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 101485865
[(1E)-9-methyl-4,7-dimethylidene-8-phenyldeca-1,9-dienyl]benzene
CID 58674078
4-hydroxy-2-methylidenebutanamide;4-phenylbut-3-en-1-ol
CID 175582028
(8,9-dimethyl-6-methylidenedeca-1,8-dienyl)benzene
CID 134863216

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene?
The IUPAC name of 1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene (CID 134852441) is 1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene.
What is the SMILES notation for 1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene?
The canonical SMILES for 1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene is C=C(C/C=C\Cc1ccc(Br)cc1)CCC=Cc1ccccc1.
What is the InChIKey of 1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene?
The InChIKey is BEVRNNLWXNHJEY-QBXRYFARSA-N. The full InChI is InChI=1S/C22H23Br/c1-19(9-5-7-13-20-11-3-2-4-12-20)10-6-8-14-21-15-17-22(23)18-16-21/h2-4,6-8,11-13,15-18H,1,5,9-10,14H2/b8-6-,13-7?.
What are the key properties of 1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene?
1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene has a molecular weight of 367.33 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(2Z)-5-methylidene-9-phenylnona-2,8-dienyl]benzene is sourced from PubChem (CID 134852441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).