1,4-dichloro-2-(2-methoxyethenyl)benzene

C9H8Cl2O — CID 68671238

IUPAC1,4-dichloro-2-(2-methoxyethenyl)benzene
SMILESCOC=Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H8Cl2O/c1-12-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3
InChIKeyPQQBXXXUTBOSEE-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.61
Rot. Bonds2

About 1,4-dichloro-2-(2-methoxyethenyl)benzene

1,4-dichloro-2-(2-methoxyethenyl)benzene (PubChem CID 68671238) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 1,4-dichloro-2-(2-methoxyethenyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(2-methoxyethenyl)benzene
PubChem CID68671238
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name1,4-dichloro-2-(2-methoxyethenyl)benzene
SMILESCOC=Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H8Cl2O/c1-12-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3
InChIKeyPQQBXXXUTBOSEE-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,4-dichloro-2-prop-1-enylbenzene
CID 70502505
1,4-dichloro-2-(3-chloroprop-1-enyl)benzene
CID 169476910
2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene
CID 167530794
2,4-dichloro-1-[2-[2-(2,4-dichlorophenyl)ethenoxy]ethenyl]benzene
CID 139944429
(E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
CID 7014934
1-chloro-3-[(E)-2-methoxyethenyl]-2-methylbenzene
CID 167713006
2-[5-chloro-2-(2-methoxyethenyl)phenyl]naphthalene
CID 138113259
2-[5-chloro-2-[(Z)-2-methoxyethenyl]phenyl]naphthalene
CID 157330376
(E)-3-(2,5-dichlorophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide
CID 103933535
methyl 3-[3-(2,5-dichlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76896204
2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene
CID 167530935
2,4-dichloro-1-[(Z)-2-(2-methoxyphenoxy)ethenyl]benzene
CID 54610251

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(2-methoxyethenyl)benzene?
The IUPAC name of 1,4-dichloro-2-(2-methoxyethenyl)benzene (CID 68671238) is 1,4-dichloro-2-(2-methoxyethenyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(2-methoxyethenyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(2-methoxyethenyl)benzene is COC=Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(2-methoxyethenyl)benzene?
The InChIKey is PQQBXXXUTBOSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c1-12-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3.
What are the key properties of 1,4-dichloro-2-(2-methoxyethenyl)benzene?
1,4-dichloro-2-(2-methoxyethenyl)benzene has a molecular weight of 203.07 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(2-methoxyethenyl)benzene is sourced from PubChem (CID 68671238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).