1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene

C19H26O7 — CID 54271001

IUPAC1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
SMILESCOc1cc(OC)c(OC)c(OC)c1.COc1ccc(OC)c(OC)c1
InChIInChI=1S/C10H14O4.C9H12O3/c1-11-7-5-8(12-2)10(14-4)9(6-7)13-3;1-10-7-4-5-8(11-2)9(6-7)12-3/h5-6H,1-4H3;4-6H,1-3H3
InChIKeyRKCTWABDVAZIEW-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.43
Rot. Bonds7

About 1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene

1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene (PubChem CID 54271001) has the molecular formula C19H26O7 and a molecular weight of 366.41 g/mol. Its IUPAC name is 1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene.

Molecular Properties

Compound Name1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
PubChem CID54271001
Molecular FormulaC19H26O7
Molecular Weight366.41 g/mol
Exact Mass366.17
IUPAC Name1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
SMILESCOc1cc(OC)c(OC)c(OC)c1.COc1ccc(OC)c(OC)c1
InChIInChI=1S/C10H14O4.C9H12O3/c1-11-7-5-8(12-2)10(14-4)9(6-7)13-3;1-10-7-4-5-8(11-2)9(6-7)12-3/h5-6H,1-4H3;4-6H,1-3H3
InChIKeyRKCTWABDVAZIEW-UHFFFAOYSA-N
XLogP3.43
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,7-trimethoxynaphthalene
CID 102088907
O-(2,5-dimethoxyphenyl)hydroxylamine
CID 117273124
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
tris(3,4-dimethoxyphenyl) borate
CID 67306182
1-fluoro-2,3,5-trimethoxybenzene
CID 151392889
(2,4-dimethoxyphenyl) formate
CID 11137749
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
(3,4-dimethoxyphenoxy) hypochlorite
CID 88615367
(3,4-dimethoxyphenyl)-dimethyl-(3,4,5-trimethoxyphenyl)silane
CID 72697489
1,4-dimethoxy-2-(2-methoxyethoxy)benzene
CID 132577892
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium
CID 13045733

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene?
The IUPAC name of 1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene (CID 54271001) is 1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene.
What is the SMILES notation for 1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene?
The canonical SMILES for 1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene is COc1cc(OC)c(OC)c(OC)c1.COc1ccc(OC)c(OC)c1.
What is the InChIKey of 1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene?
The InChIKey is RKCTWABDVAZIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.C9H12O3/c1-11-7-5-8(12-2)10(14-4)9(6-7)13-3;1-10-7-4-5-8(11-2)9(6-7)12-3/h5-6H,1-4H3;4-6H,1-3H3.
What are the key properties of 1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene?
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene has a molecular weight of 366.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene is sourced from PubChem (CID 54271001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).