1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene

C13H20O7 — CID 56613855

IUPAC1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene
SMILESCOCOc1cc(OC)c(OCOC)c(OC)c1OC
InChIInChI=1S/C13H20O7/c1-14-7-19-10-6-9(16-3)12(20-8-15-2)13(18-5)11(10)17-4/h6H,7-8H2,1-5H3
InChIKeyYJMIYGIMUYPKMI-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.68
Rot. Bonds9

About 1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene

1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene (PubChem CID 56613855) has the molecular formula C13H20O7 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene.

Molecular Properties

Compound Name1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene
PubChem CID56613855
Molecular FormulaC13H20O7
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC Name1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene
SMILESCOCOc1cc(OC)c(OCOC)c(OC)c1OC
InChIInChI=1S/C13H20O7/c1-14-7-19-10-6-9(16-3)12(20-8-15-2)13(18-5)11(10)17-4/h6H,7-8H2,1-5H3
InChIKeyYJMIYGIMUYPKMI-UHFFFAOYSA-N
XLogP1.68
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene
CID 56613923
3-(3-iodopropoxy)-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene
CID 54315298
1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene
CID 11373561
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
1,4-dimethoxy-2,5-bis(methoxymethoxy)-3-non-4-ynylbenzene
CID 19757192
CID 88968963
CID 88968963
1-[5-[2,5-dimethoxy-3,6-bis(methoxymethoxy)phenyl]pentyl]-2,5-dimethoxy-3,6-bis(methoxymethoxy)-4-non-4-ynylbenzene
CID 19757153
5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
CID 164894429
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde
CID 59773278
1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine
CID 65364643
2-methoxy-1,4-bis(methoxymethoxy)-3-methyl-5-nitrobenzene
CID 14137884

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene?
The IUPAC name of 1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene (CID 56613855) is 1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene.
What is the SMILES notation for 1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene?
The canonical SMILES for 1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene is COCOc1cc(OC)c(OCOC)c(OC)c1OC.
What is the InChIKey of 1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene?
The InChIKey is YJMIYGIMUYPKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O7/c1-14-7-19-10-6-9(16-3)12(20-8-15-2)13(18-5)11(10)17-4/h6H,7-8H2,1-5H3.
What are the key properties of 1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene?
1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene has a molecular weight of 288.30 g/mol, XLogP of 1.68, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene is sourced from PubChem (CID 56613855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).