2,5-bis(3,4-dimethoxyphenyl)oxolane

C20H24O5 — CID 13491508

IUPAC2,5-bis(3,4-dimethoxyphenyl)oxolane
SMILESCOc1ccc(C2CCC(c3ccc(OC)c(OC)c3)O2)cc1OC
InChIInChI=1S/C20H24O5/c1-21-17-7-5-13(11-19(17)23-3)15-9-10-16(25-15)14-6-8-18(22-2)20(12-14)24-4/h5-8,11-12,15-16H,9-10H2,1-4H3
InChIKeyQJCGZUKQWHTSOT-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.31
Rot. Bonds6

About 2,5-bis(3,4-dimethoxyphenyl)oxolane

2,5-bis(3,4-dimethoxyphenyl)oxolane (PubChem CID 13491508) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2,5-bis(3,4-dimethoxyphenyl)oxolane.

Molecular Properties

Compound Name2,5-bis(3,4-dimethoxyphenyl)oxolane
PubChem CID13491508
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name2,5-bis(3,4-dimethoxyphenyl)oxolane
SMILESCOc1ccc(C2CCC(c3ccc(OC)c(OC)c3)O2)cc1OC
InChIInChI=1S/C20H24O5/c1-21-17-7-5-13(11-19(17)23-3)15-9-10-16(25-15)14-6-8-18(22-2)20(12-14)24-4/h5-8,11-12,15-16H,9-10H2,1-4H3
InChIKeyQJCGZUKQWHTSOT-UHFFFAOYSA-N
XLogP4.31
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene
CID 13045742
2-(3,4-dimethoxyphenyl)-6-methyl-1,4-oxazepane
CID 65035548
2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
CID 11794734
4-[(1R,2R,3S,4S)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 16756782
4-[(1S,2S,3R,4R)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 166441849
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine
CID 82287095
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
(2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane
CID 142954682
4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
(1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol
CID 11973047

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3,4-dimethoxyphenyl)oxolane?
The IUPAC name of 2,5-bis(3,4-dimethoxyphenyl)oxolane (CID 13491508) is 2,5-bis(3,4-dimethoxyphenyl)oxolane.
What is the SMILES notation for 2,5-bis(3,4-dimethoxyphenyl)oxolane?
The canonical SMILES for 2,5-bis(3,4-dimethoxyphenyl)oxolane is COc1ccc(C2CCC(c3ccc(OC)c(OC)c3)O2)cc1OC.
What is the InChIKey of 2,5-bis(3,4-dimethoxyphenyl)oxolane?
The InChIKey is QJCGZUKQWHTSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-21-17-7-5-13(11-19(17)23-3)15-9-10-16(25-15)14-6-8-18(22-2)20(12-14)24-4/h5-8,11-12,15-16H,9-10H2,1-4H3.
What are the key properties of 2,5-bis(3,4-dimethoxyphenyl)oxolane?
2,5-bis(3,4-dimethoxyphenyl)oxolane has a molecular weight of 344.41 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3,4-dimethoxyphenyl)oxolane is sourced from PubChem (CID 13491508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).