4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene

C11H12Cl2O — CID 79019088

IUPAC4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C=CCCCl
InChIInChI=1S/C11H12Cl2O/c1-14-11-6-5-10(13)8-9(11)4-2-3-7-12/h2,4-6,8H,3,7H2,1H3
InChIKeyYJWSKETXGYWWBL-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.99
Rot. Bonds4

About 4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene

4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene (PubChem CID 79019088) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene
PubChem CID79019088
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C=CCCCl
InChIInChI=1S/C11H12Cl2O/c1-14-11-6-5-10(13)8-9(11)4-2-3-7-12/h2,4-6,8H,3,7H2,1H3
InChIKeyYJWSKETXGYWWBL-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(5-chloro-2-methoxyphenyl)but-3-enyl]acetamide
CID 170488539
tert-butyl N-[4-(5-chloro-2-methoxyphenyl)but-3-enyl]carbamate
CID 170490325
5-(4-chlorobut-1-enyl)-2-methoxybenzaldehyde
CID 170499390
(E)-3-[5-(4-chlorobut-1-enyl)-2-methoxyphenyl]prop-2-enoic acid
CID 170500047
(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl chloride
CID 19317726
1-chloro-4-(4-chlorobut-1-enyl)-2-methoxybenzene
CID 79698072
1-(4-azidobut-1-enyl)-4-chloro-2-methoxybenzene
CID 170485144
2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
CID 169477246
(E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 63969477
4-chloro-2-(4-chlorobut-1-enyl)benzoic acid
CID 170499386
methyl 4-(4-chloro-2-methoxyphenyl)but-3-enoate
CID 170500761
(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
CID 95444282

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene?
The IUPAC name of 4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene (CID 79019088) is 4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene is COc1ccc(Cl)cc1C=CCCCl.
What is the InChIKey of 4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene?
The InChIKey is YJWSKETXGYWWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-14-11-6-5-10(13)8-9(11)4-2-3-7-12/h2,4-6,8H,3,7H2,1H3.
What are the key properties of 4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene?
4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene has a molecular weight of 231.12 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene is sourced from PubChem (CID 79019088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).