(3,3-dichloro-1-phenylprop-1-en-2-yl)benzene

C15H12Cl2 — CID 66605972

IUPAC(3,3-dichloro-1-phenylprop-1-en-2-yl)benzene
SMILESClC(Cl)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12Cl2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11,15H
InChIKeyMUBDUGKKKAMMND-UHFFFAOYSA-N
MW263.17 g/mol
LogP5.03
Rot. Bonds3

About (3,3-dichloro-1-phenylprop-1-en-2-yl)benzene

(3,3-dichloro-1-phenylprop-1-en-2-yl)benzene (PubChem CID 66605972) has the molecular formula C15H12Cl2 and a molecular weight of 263.17 g/mol. Its IUPAC name is (3,3-dichloro-1-phenylprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name(3,3-dichloro-1-phenylprop-1-en-2-yl)benzene
PubChem CID66605972
Molecular FormulaC15H12Cl2
Molecular Weight263.17 g/mol
Exact Mass262.03
IUPAC Name(3,3-dichloro-1-phenylprop-1-en-2-yl)benzene
SMILESClC(Cl)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12Cl2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11,15H
InChIKeyMUBDUGKKKAMMND-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.17
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E,2S)-3,4-diphenylbut-3-en-2-ol
CID 177489258
1,2,3-triphenylprop-2-en-1-amine
CID 173348999
1,3,4-triphenylbut-1-en-2-ylbenzene
CID 71421152
(1E)-1-(4-chlorophenyl)-2-phenylpenta-1,4-dien-3-ol
CID 135241983
4-[(E)-3-methyl-2-phenylbut-1-enyl]aniline
CID 173482335
CID 173126547
CID 173126547
chloro-[(Z)-1,2-diphenylethenyl]mercury
CID 12746164
chloro(1,2-diphenylethenyl)silane
CID 123632662
methyl (E)-4,4-dichloro-3-phenylbut-2-enoate
CID 121219418
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
CID 172843956
CID 172843956

Frequently Asked Questions

What is the IUPAC name of (3,3-dichloro-1-phenylprop-1-en-2-yl)benzene?
The IUPAC name of (3,3-dichloro-1-phenylprop-1-en-2-yl)benzene (CID 66605972) is (3,3-dichloro-1-phenylprop-1-en-2-yl)benzene.
What is the SMILES notation for (3,3-dichloro-1-phenylprop-1-en-2-yl)benzene?
The canonical SMILES for (3,3-dichloro-1-phenylprop-1-en-2-yl)benzene is ClC(Cl)C(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of (3,3-dichloro-1-phenylprop-1-en-2-yl)benzene?
The InChIKey is MUBDUGKKKAMMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11,15H.
What are the key properties of (3,3-dichloro-1-phenylprop-1-en-2-yl)benzene?
(3,3-dichloro-1-phenylprop-1-en-2-yl)benzene has a molecular weight of 263.17 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dichloro-1-phenylprop-1-en-2-yl)benzene is sourced from PubChem (CID 66605972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).