1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene

C16H14Cl2 — CID 175740694

IUPAC1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene
SMILESCc1ccc(CC=Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H14Cl2/c1-12-8-10-13(11-9-12)4-2-5-14-15(17)6-3-7-16(14)18/h2-3,5-11H,4H2,1H3
InChIKeyOVAJEHQOVCMKRV-UHFFFAOYSA-N
MW277.19 g/mol
LogP5.56
Rot. Bonds3

About 1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene

1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene (PubChem CID 175740694) has the molecular formula C16H14Cl2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene
PubChem CID175740694
Molecular FormulaC16H14Cl2
Molecular Weight277.19 g/mol
Exact Mass276.05
IUPAC Name1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene
SMILESCc1ccc(CC=Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H14Cl2/c1-12-8-10-13(11-9-12)4-2-5-14-15(17)6-3-7-16(14)18/h2-3,5-11H,4H2,1H3
InChIKeyOVAJEHQOVCMKRV-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.19
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 118370759
1-chloro-4-[(E)-3-(4-methylphenyl)prop-1-enyl]benzene
CID 25149973
1-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene
CID 11379525
1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
CID 161223242
3-(2,6-dichlorophenyl)prop-2-en-1-amine
CID 76539417
1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 57014640
1,3-dichloro-2-[(E)-hept-1-enyl]benzene
CID 20721002
1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
CID 144681083
1-hex-2-enyl-4-methylbenzene
CID 54148468
2,6-dichlorobenzaldehyde;4-methylbenzaldehyde
CID 19356894
N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347868
1-[(2E)-4-chloro-5-methylhexa-2,4-dienyl]-4-methylbenzene
CID 102046771

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene?
The IUPAC name of 1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene (CID 175740694) is 1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene is Cc1ccc(CC=Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene?
The InChIKey is OVAJEHQOVCMKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2/c1-12-8-10-13(11-9-12)4-2-5-14-15(17)6-3-7-16(14)18/h2-3,5-11H,4H2,1H3.
What are the key properties of 1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene?
1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene has a molecular weight of 277.19 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[3-(4-methylphenyl)prop-1-enyl]benzene is sourced from PubChem (CID 175740694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).