2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene

C11H13ClO2 — CID 21064592

IUPAC2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene
SMILESC=Cc1ccc(OC)c(C(Cl)OC)c1
InChIInChI=1S/C11H13ClO2/c1-4-8-5-6-10(13-2)9(7-8)11(12)14-3/h4-7,11H,1H2,2-3H3
InChIKeyNTJPRKQVYVPXAJ-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.22
Rot. Bonds4

About 2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene

2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene (PubChem CID 21064592) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene.

Molecular Properties

Compound Name2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene
PubChem CID21064592
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene
SMILESC=Cc1ccc(OC)c(C(Cl)OC)c1
InChIInChI=1S/C11H13ClO2/c1-4-8-5-6-10(13-2)9(7-8)11(12)14-3/h4-7,11H,1H2,2-3H3
InChIKeyNTJPRKQVYVPXAJ-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.22
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

4-ethenyl-1,2-dimethoxybenzene
CID 159733418
2-chloro-4-ethenyl-1-methoxybenzene
CID 11147958
4-ethenyl-2-ethoxy-1-methoxybenzene
CID 11665489
4-ethenyl-2-methoxy-1-(methoxymethoxy)benzene
CID 59623316
4-ethenyl-1-methoxy-2-(4-methylphenyl)benzene
CID 172879757
1-(1-chloroprop-2-enyl)-2-methoxybenzene
CID 139328621
4-ethenyl-2-methoxy-1-[1-(2-phenoxyethoxy)ethoxy]benzene
CID 23114964
4-(4-ethenylphenyl)-2-fluoro-1-methoxybenzene
CID 25270619
3-(1-aminoethyl)-4-methoxybenzaldehyde
CID 105438048
1-[4-ethenyl-2-(1-hydroxyethyl)phenyl]ethanol
CID 164846178
2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene
CID 122443115
(1S)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-ol
CID 97293631

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene?
The IUPAC name of 2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene (CID 21064592) is 2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene.
What is the SMILES notation for 2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene?
The canonical SMILES for 2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene is C=Cc1ccc(OC)c(C(Cl)OC)c1.
What is the InChIKey of 2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene?
The InChIKey is NTJPRKQVYVPXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-4-8-5-6-10(13-2)9(7-8)11(12)14-3/h4-7,11H,1H2,2-3H3.
What are the key properties of 2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene?
2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene has a molecular weight of 212.68 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(methoxy)methyl]-4-ethenyl-1-methoxybenzene is sourced from PubChem (CID 21064592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).