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

C16H15Cl — CID 138980853

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

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

1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene (PubChem CID 138980853) has the molecular formula C16H15Cl and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene
PubChem CID138980853
Molecular FormulaC16H15Cl
Molecular Weight242.75 g/mol
Exact Mass242.09
IUPAC Name1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene
SMILESCC/C(=C\c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl/c1-2-14(12-13-6-4-3-5-7-13)15-8-10-16(17)11-9-15/h3-12H,2H2,1H3/b14-12+
InChIKeyWTNFMLNDBDJLHL-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)-2-phenylbut-1-enyl]benzene
CID 72793482
2-[(Z)-1-phenylbut-1-en-2-yl]naphthalene
CID 58787072
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
3-(1-phenylbut-1-en-2-yl)phenol
CID 91153074
N-[(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enyl]-N-phenylacetamide
CID 162406418
(E)-2-(4-chlorophenyl)-3-phenylprop-2-enal
CID 86741984
methyl (E)-2-(4-chlorobenzoyl)-3-phenylprop-2-enoate
CID 24808600
2-[(Z)-2-phenylbut-1-enyl]phenol
CID 11031503
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
(E)-2-(4-methylphenyl)-3-phenylprop-2-en-1-ol
CID 71219212
4-(4-chlorophenyl)hex-3-en-1-amine
CID 76997304

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene?
The IUPAC name of 1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene (CID 138980853) is 1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene is CC/C(=C\c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene?
The InChIKey is WTNFMLNDBDJLHL-WYMLVPIESA-N. The full InChI is InChI=1S/C16H15Cl/c1-2-14(12-13-6-4-3-5-7-13)15-8-10-16(17)11-9-15/h3-12H,2H2,1H3/b14-12+.
What are the key properties of 1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene?
1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]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)-1-phenylbut-1-en-2-yl]benzene is sourced from PubChem (CID 138980853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).