1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene

C19H17Cl — CID 134482693

IUPAC1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene
SMILESC=C/C=C(\C=C)C(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C19H17Cl/c1-3-10-15(4-2)19(16-11-6-5-7-12-16)17-13-8-9-14-18(17)20/h3-14,19H,1-2H2/b15-10+
InChIKeyREGCAESJCKUGTO-XNTDXEJSSA-N
MW280.80 g/mol
LogP5.77
Rot. Bonds5

About 1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene

1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene (PubChem CID 134482693) has the molecular formula C19H17Cl and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene
PubChem CID134482693
Molecular FormulaC19H17Cl
Molecular Weight280.80 g/mol
Exact Mass280.10
IUPAC Name1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene
SMILESC=C/C=C(\C=C)C(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C19H17Cl/c1-3-10-15(4-2)19(16-11-6-5-7-12-16)17-13-8-9-14-18(17)20/h3-14,19H,1-2H2/b15-10+
InChIKeyREGCAESJCKUGTO-XNTDXEJSSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.80
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol
CID 142139727
[(2-chlorophenyl)-phenylmethyl] prop-2-enoate
CID 150814441
ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane
CID 177324817
(4E)-1-chloro-4-ethenyl-3-phenylhepta-4,6-dien-2-one
CID 145368331
ethane;[(5E)-5-ethenylocta-5,7-dien-4-yl]benzene;methane
CID 142240938
1-benzhydryl-2-chlorobenzene;methane
CID 159179204
2-(2-chlorophenyl)-N-methoxy-1,2-diphenylethanimine
CID 173102523
1-[(E)-3-bromo-1,3-diphenylprop-2-enyl]-2-chlorobenzene
CID 46185842
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 143204941
10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine
CID 170720846
[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl] 2-tert-butyl-4-methylpentanoate
CID 144703641

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene?
The IUPAC name of 1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene (CID 134482693) is 1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene.
What is the SMILES notation for 1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene?
The canonical SMILES for 1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene is C=C/C=C(\C=C)C(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene?
The InChIKey is REGCAESJCKUGTO-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H17Cl/c1-3-10-15(4-2)19(16-11-6-5-7-12-16)17-13-8-9-14-18(17)20/h3-14,19H,1-2H2/b15-10+.
What are the key properties of 1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene?
1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene has a molecular weight of 280.80 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]benzene is sourced from PubChem (CID 134482693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).