1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene

C9H10Cl2O2 — CID 164512715

IUPAC1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene
SMILESCOCOc1c(Cl)ccc(Cl)c1C
InChIInChI=1S/C9H10Cl2O2/c1-6-7(10)3-4-8(11)9(6)13-5-12-2/h3-4H,5H2,1-2H3
InChIKeyMCQOECODVRPWQO-UHFFFAOYSA-N
MW221.08 g/mol
LogP3.28
Rot. Bonds3

About 1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene

1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene (PubChem CID 164512715) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene.

Molecular Properties

Compound Name1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene
PubChem CID164512715
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene
SMILESCOCOc1c(Cl)ccc(Cl)c1C
InChIInChI=1S/C9H10Cl2O2/c1-6-7(10)3-4-8(11)9(6)13-5-12-2/h3-4H,5H2,1-2H3
InChIKeyMCQOECODVRPWQO-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 53.28
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

1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene
CID 171367855
1-chloro-3-fluoro-2-(methoxymethoxy)benzene
CID 131130632
2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde
CID 146460502
1-chloro-2-ethoxy-3,4-dimethylbenzene
CID 143804425
9,10-bis(methoxymethoxy)anthracene
CID 150706504
1-bromo-4-chloro-3-ethoxy-2-methylbenzene
CID 171000252
[3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol
CID 54117056
1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 91426597
2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene
CID 164891583
4-chloro-2-methoxy-3-methylphenol
CID 124706065
CID 147195893
CID 147195893
2-bromo-1-chloro-4-(methoxymethoxy)benzene
CID 162421095

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene?
The IUPAC name of 1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene (CID 164512715) is 1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene.
What is the SMILES notation for 1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene?
The canonical SMILES for 1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene is COCOc1c(Cl)ccc(Cl)c1C.
What is the InChIKey of 1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene?
The InChIKey is MCQOECODVRPWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c1-6-7(10)3-4-8(11)9(6)13-5-12-2/h3-4H,5H2,1-2H3.
What are the key properties of 1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene?
1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene has a molecular weight of 221.08 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene is sourced from PubChem (CID 164512715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).