1,3-dimethoxy-5-(methoxymethoxy)benzene

C10H14O4 — CID 11194953

IUPAC1,3-dimethoxy-5-(methoxymethoxy)benzene
SMILESCOCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C10H14O4/c1-11-7-14-10-5-8(12-2)4-9(6-10)13-3/h4-6H,7H2,1-3H3
InChIKeySPMOTZIIHLEZKL-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.69
Rot. Bonds5

About 1,3-dimethoxy-5-(methoxymethoxy)benzene

1,3-dimethoxy-5-(methoxymethoxy)benzene (PubChem CID 11194953) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1,3-dimethoxy-5-(methoxymethoxy)benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-(methoxymethoxy)benzene
PubChem CID11194953
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name1,3-dimethoxy-5-(methoxymethoxy)benzene
SMILESCOCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C10H14O4/c1-11-7-14-10-5-8(12-2)4-9(6-10)13-3/h4-6H,7H2,1-3H3
InChIKeySPMOTZIIHLEZKL-UHFFFAOYSA-N
XLogP1.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone
CID 23439770
1,3-dibromo-2,5-bis(methoxymethoxy)benzene
CID 21364580
1,4-bis(methoxymethoxy)benzene
CID 542643
2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene
CID 150296892
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226
phosphane;1,3,5-trimethoxybenzene
CID 175232895
1,3-bis(methoxymethoxy)-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 71496849
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
CID 88968963
CID 88968963
3-(methoxymethoxy)-5-methylaniline
CID 143853876
2-(3,5-dimethoxyphenoxy)ethanethiol;ethane
CID 144886217
1-(3-bromopropoxy)-3,5-dimethoxybenzene
CID 12959383

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-(methoxymethoxy)benzene?
The IUPAC name of 1,3-dimethoxy-5-(methoxymethoxy)benzene (CID 11194953) is 1,3-dimethoxy-5-(methoxymethoxy)benzene.
What is the SMILES notation for 1,3-dimethoxy-5-(methoxymethoxy)benzene?
The canonical SMILES for 1,3-dimethoxy-5-(methoxymethoxy)benzene is COCOc1cc(OC)cc(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-(methoxymethoxy)benzene?
The InChIKey is SPMOTZIIHLEZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-11-7-14-10-5-8(12-2)4-9(6-10)13-3/h4-6H,7H2,1-3H3.
What are the key properties of 1,3-dimethoxy-5-(methoxymethoxy)benzene?
1,3-dimethoxy-5-(methoxymethoxy)benzene has a molecular weight of 198.22 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-(methoxymethoxy)benzene is sourced from PubChem (CID 11194953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).