2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene

C11H12Cl2O2 — CID 79335637

IUPAC2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene
SMILESCOc1ccc(C=CCCl)c(Cl)c1OC
InChIInChI=1S/C11H12Cl2O2/c1-14-9-6-5-8(4-3-7-12)10(13)11(9)15-2/h3-6H,7H2,1-2H3
InChIKeyXDLUATPHHYNZIZ-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.61
Rot. Bonds4

About 2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene

2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene (PubChem CID 79335637) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene.

Molecular Properties

Compound Name2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene
PubChem CID79335637
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene
SMILESCOc1ccc(C=CCCl)c(Cl)c1OC
InChIInChI=1S/C11H12Cl2O2/c1-14-9-6-5-8(4-3-7-12)10(13)11(9)15-2/h3-6H,7H2,1-2H3
InChIKeyXDLUATPHHYNZIZ-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-ol
CID 163198757
3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene
CID 54212872
2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
CID 169477246
3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 2774974
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507443
methyl 3-(3-chloroprop-1-enyl)-4-methoxybenzoate
CID 169478133
(3E,5E)-3,5-bis[(2-chloro-3,4-dimethoxyphenyl)methylidene]piperidin-4-one
CID 127030363
3-(2,3-dimethoxyphenyl)prop-2-ene-1-thiol
CID 169456447
3-(2-chloro-3,4-dimethoxyphenyl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one
CID 69021660
3-(2-chloro-3,4-dimethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)prop-2-en-1-one
CID 69022271
(E)-3-(2-chloro-3,4-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one
CID 21031148
(E)-3-(3,4-dimethoxy-2-methylsulfanylphenyl)prop-2-en-1-amine
CID 117351511

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene?
The IUPAC name of 2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene (CID 79335637) is 2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene.
What is the SMILES notation for 2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene?
The canonical SMILES for 2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene is COc1ccc(C=CCCl)c(Cl)c1OC.
What is the InChIKey of 2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene?
The InChIKey is XDLUATPHHYNZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-14-9-6-5-8(4-3-7-12)10(13)11(9)15-2/h3-6H,7H2,1-2H3.
What are the key properties of 2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene?
2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene has a molecular weight of 247.12 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-chloroprop-1-enyl)-3,4-dimethoxybenzene is sourced from PubChem (CID 79335637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).