1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene

C10H10Cl2O2 — CID 138987762

IUPAC1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene
SMILESCOCOc1cccc(C=C(Cl)Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-13-7-14-9-4-2-3-8(5-9)6-10(11)12/h2-6H,7H2,1H3
InChIKeyGBTCRNDKEUYKDK-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.45
Rot. Bonds4

About 1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene

1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene (PubChem CID 138987762) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene.

Molecular Properties

Compound Name1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene
PubChem CID138987762
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene
SMILESCOCOc1cccc(C=C(Cl)Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-13-7-14-9-4-2-3-8(5-9)6-10(11)12/h2-6H,7H2,1H3
InChIKeyGBTCRNDKEUYKDK-UHFFFAOYSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid
CID 139922099
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941
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CID 139695062
(2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]cyclohexan-1-one
CID 22796952
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene
CID 170196705
[2-[(2E)-2-[[3-(methoxymethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 11483897
2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone
CID 140768864
1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene
CID 54436415
2,2-dideuterio-3-[3-(methoxymethoxy)phenyl]oxirane;3-(methoxymethoxy)benzaldehyde
CID 158036349
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
1-[(Z)-2-bromo-2-fluoroethenyl]-3,5-bis(methoxymethoxy)benzene
CID 101150690

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene?
The IUPAC name of 1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene (CID 138987762) is 1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene.
What is the SMILES notation for 1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene?
The canonical SMILES for 1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene is COCOc1cccc(C=C(Cl)Cl)c1.
What is the InChIKey of 1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene?
The InChIKey is GBTCRNDKEUYKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-13-7-14-9-4-2-3-8(5-9)6-10(11)12/h2-6H,7H2,1H3.
What are the key properties of 1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene?
1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene has a molecular weight of 233.09 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene is sourced from PubChem (CID 138987762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).