1,4-dichloro-2-prop-1-enylbenzene

C9H8Cl2 — CID 70502505

IUPAC1,4-dichloro-2-prop-1-enylbenzene
SMILESCC=Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H8Cl2/c1-2-3-7-6-8(10)4-5-9(7)11/h2-6H,1H3
InChIKeyBDIVPQHPHFRKQM-UHFFFAOYSA-N
MW187.07 g/mol
LogP4.03
Rot. Bonds1

About 1,4-dichloro-2-prop-1-enylbenzene

1,4-dichloro-2-prop-1-enylbenzene (PubChem CID 70502505) has the molecular formula C9H8Cl2 and a molecular weight of 187.07 g/mol. Its IUPAC name is 1,4-dichloro-2-prop-1-enylbenzene.

Molecular Properties

Compound Name1,4-dichloro-2-prop-1-enylbenzene
PubChem CID70502505
Molecular FormulaC9H8Cl2
Molecular Weight187.07 g/mol
Exact Mass186.00
IUPAC Name1,4-dichloro-2-prop-1-enylbenzene
SMILESCC=Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H8Cl2/c1-2-3-7-6-8(10)4-5-9(7)11/h2-6H,1H3
InChIKeyBDIVPQHPHFRKQM-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.07
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dichloro-2-(2-methoxyethenyl)benzene
CID 68671238
1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene
CID 68850657
1,4-dichloro-2-(3-chloroprop-1-enyl)benzene
CID 169476910
4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene
CID 173483379
1,2,5-trichloro-3-prop-1-enylbenzene
CID 173058657
1-(4-chloro-2-prop-1-enylphenyl)ethanone
CID 77442507
4-chloro-2-nitro-1-[(E)-prop-1-enyl]benzene
CID 57056957
1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-prop-1-enylbenzene
CID 87600963
(E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
CID 7014934
1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
CID 144702462
(E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 178162630
2,3-dichloro-6-[(E)-prop-1-enyl]aniline
CID 11790257

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-prop-1-enylbenzene?
The IUPAC name of 1,4-dichloro-2-prop-1-enylbenzene (CID 70502505) is 1,4-dichloro-2-prop-1-enylbenzene.
What is the SMILES notation for 1,4-dichloro-2-prop-1-enylbenzene?
The canonical SMILES for 1,4-dichloro-2-prop-1-enylbenzene is CC=Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-prop-1-enylbenzene?
The InChIKey is BDIVPQHPHFRKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2/c1-2-3-7-6-8(10)4-5-9(7)11/h2-6H,1H3.
What are the key properties of 1,4-dichloro-2-prop-1-enylbenzene?
1,4-dichloro-2-prop-1-enylbenzene has a molecular weight of 187.07 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-prop-1-enylbenzene is sourced from PubChem (CID 70502505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).