1,4-dichloro-2-(3-chlorobut-3-enyl)benzene

C10H9Cl3 — CID 24722005

IUPAC1,4-dichloro-2-(3-chlorobut-3-enyl)benzene
SMILESC=C(Cl)CCc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl3/c1-7(11)2-3-8-6-9(12)4-5-10(8)13/h4-6H,1-3H2
InChIKeyUKMQPBJUGKHHKH-UHFFFAOYSA-N
MW235.54 g/mol
LogP4.68
Rot. Bonds3

About 1,4-dichloro-2-(3-chlorobut-3-enyl)benzene

1,4-dichloro-2-(3-chlorobut-3-enyl)benzene (PubChem CID 24722005) has the molecular formula C10H9Cl3 and a molecular weight of 235.54 g/mol. Its IUPAC name is 1,4-dichloro-2-(3-chlorobut-3-enyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(3-chlorobut-3-enyl)benzene
PubChem CID24722005
Molecular FormulaC10H9Cl3
Molecular Weight235.54 g/mol
Exact Mass233.98
IUPAC Name1,4-dichloro-2-(3-chlorobut-3-enyl)benzene
SMILESC=C(Cl)CCc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl3/c1-7(11)2-3-8-6-9(12)4-5-10(8)13/h4-6H,1-3H2
InChIKeyUKMQPBJUGKHHKH-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.54
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2,5-dichlorophenyl)propanethioamide
CID 83931369
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
4-(2,5-dichlorophenyl)butan-1-ol
CID 65316386
5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one
CID 11543297
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
4-[(2,5-dichlorophenyl)methyl]phenol
CID 21272497
azane;1,4-dichloro-2-(chloromethyl)benzene
CID 174958411
1,4-dichloro-2-(fluoromethyl)benzene
CID 175609206
(2,5-dichlorophenyl)methanethiol
CID 21489083
N-[(2,5-dichlorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 114616826
1-(2,5-dichlorophenyl)hexane-3,4-diol
CID 83931430
2-(2,5-dichlorophenyl)ethanesulfinate
CID 68866218

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(3-chlorobut-3-enyl)benzene?
The IUPAC name of 1,4-dichloro-2-(3-chlorobut-3-enyl)benzene (CID 24722005) is 1,4-dichloro-2-(3-chlorobut-3-enyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(3-chlorobut-3-enyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(3-chlorobut-3-enyl)benzene is C=C(Cl)CCc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(3-chlorobut-3-enyl)benzene?
The InChIKey is UKMQPBJUGKHHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3/c1-7(11)2-3-8-6-9(12)4-5-10(8)13/h4-6H,1-3H2.
What are the key properties of 1,4-dichloro-2-(3-chlorobut-3-enyl)benzene?
1,4-dichloro-2-(3-chlorobut-3-enyl)benzene has a molecular weight of 235.54 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(3-chlorobut-3-enyl)benzene is sourced from PubChem (CID 24722005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).