2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene

C16H14Cl2 — CID 155153874

IUPAC2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene
SMILESC=C(C)c1cccc(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2/c1-11(2)13-5-3-4-12(8-13)9-14-6-7-15(17)10-16(14)18/h3-8,10H,1,9H2,2H3
InChIKeyBXHZTFVLOLLRRL-UHFFFAOYSA-N
MW277.19 g/mol
LogP5.62
Rot. Bonds3

About 2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene

2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene (PubChem CID 155153874) has the molecular formula C16H14Cl2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene
PubChem CID155153874
Molecular FormulaC16H14Cl2
Molecular Weight277.19 g/mol
Exact Mass276.05
IUPAC Name2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene
SMILESC=C(C)c1cccc(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2/c1-11(2)13-5-3-4-12(8-13)9-14-6-7-15(17)10-16(14)18/h3-8,10H,1,9H2,2H3
InChIKeyBXHZTFVLOLLRRL-UHFFFAOYSA-N
XLogP5.62
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 ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
1-prop-1-en-2-yl-3-propylbenzene
CID 22486655
1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
CID 10705500
4-[(2,4-dichlorophenyl)methyl]aniline
CID 116926043
(2,4-dichlorophenyl)-(3-propylphenyl)methanone
CID 115812034
3-[[4-chloro-2-(4-methylpiperazin-1-yl)phenyl]methyl]benzoic acid
CID 70423359
(E)-3-(3-prop-1-en-2-ylphenyl)prop-1-en-1-amine
CID 134297759
3-[[2-(2,4-dichlorophenyl)ethylamino]methyl]benzoic acid
CID 103233798
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
4-chloro-1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzene
CID 174908025
2,4-dichloro-1-[(2,4-dimethylphenyl)methyl]benzene
CID 57116365
3-[(4-chlorophenyl)methyl]benzoic acid
CID 116927110

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene (CID 155153874) is 2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene is C=C(C)c1cccc(Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene?
The InChIKey is BXHZTFVLOLLRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2/c1-11(2)13-5-3-4-12(8-13)9-14-6-7-15(17)10-16(14)18/h3-8,10H,1,9H2,2H3.
What are the key properties of 2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene?
2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene has a molecular weight of 277.19 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(3-prop-1-en-2-ylphenyl)methyl]benzene is sourced from PubChem (CID 155153874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).