1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene

C16H15Cl — CID 72793482

IUPAC1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
SMILESCC/C(=C\c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H15Cl/c1-2-14(15-6-4-3-5-7-15)12-13-8-10-16(17)11-9-13/h3-12H,2H2,1H3/b14-12+
InChIKeyRWYZSUHQAZXZKK-WYMLVPIESA-N
MW242.75 g/mol
LogP5.29
Rot. Bonds3

About 1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene

1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene (PubChem CID 72793482) has the molecular formula C16H15Cl and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
PubChem CID72793482
Molecular FormulaC16H15Cl
Molecular Weight242.75 g/mol
Exact Mass242.09
IUPAC Name1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
SMILESCC/C(=C\c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H15Cl/c1-2-14(15-6-4-3-5-7-15)12-13-8-10-16(17)11-9-13/h3-12H,2H2,1H3/b14-12+
InChIKeyRWYZSUHQAZXZKK-WYMLVPIESA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.75
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene
CID 138980853
3-(1-phenylbut-1-en-2-yl)phenol
CID 91153074
(E)-3-(4-chlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5466800
2-[(Z)-2-phenylbut-1-enyl]phenol
CID 11031503
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol
CID 175610525
2-[(Z)-1-phenylbut-1-en-2-yl]naphthalene
CID 58787072
5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole
CID 141327839
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 20830984
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene
CID 56956432

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene (CID 72793482) is 1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene is CC/C(=C\c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene?
The InChIKey is RWYZSUHQAZXZKK-WYMLVPIESA-N. The full InChI is InChI=1S/C16H15Cl/c1-2-14(15-6-4-3-5-7-15)12-13-8-10-16(17)11-9-13/h3-12H,2H2,1H3/b14-12+.
What are the key properties of 1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene?
1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene has a molecular weight of 242.75 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene is sourced from PubChem (CID 72793482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).