2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran

C24H28O5 — CID 11069311

IUPAC2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran
SMILESCCOc1ccc(-c2oc(-c3ccc(OCC)c(OC)c3)c(C)c2C)cc1OC
InChIInChI=1S/C24H28O5/c1-7-27-19-11-9-17(13-21(19)25-5)23-15(3)16(4)24(29-23)18-10-12-20(28-8-2)22(14-18)26-6/h9-14H,7-8H2,1-6H3
InChIKeyFXDSEDUSYJZTAQ-UHFFFAOYSA-N
MW396.48 g/mol
LogP6.05
Rot. Bonds8

About 2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran

2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran (PubChem CID 11069311) has the molecular formula C24H28O5 and a molecular weight of 396.48 g/mol. Its IUPAC name is 2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran.

Molecular Properties

Compound Name2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran
PubChem CID11069311
Molecular FormulaC24H28O5
Molecular Weight396.48 g/mol
Exact Mass396.19
IUPAC Name2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran
SMILESCCOc1ccc(-c2oc(-c3ccc(OCC)c(OC)c3)c(C)c2C)cc1OC
InChIInChI=1S/C24H28O5/c1-7-27-19-11-9-17(13-21(19)25-5)23-15(3)16(4)24(29-23)18-10-12-20(28-8-2)22(14-18)26-6/h9-14H,7-8H2,1-6H3
InChIKeyFXDSEDUSYJZTAQ-UHFFFAOYSA-N
XLogP6.05
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole
CID 166198597
5-(4-ethoxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 3480116
2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole
CID 71563513
[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098981
4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol
CID 19049296
4-ethoxy-3-methoxy-N-methylaniline
CID 63089329
5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole
CID 13268420
2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan
CID 19049290
[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427187
2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427189
6-(4-ethoxy-3-methoxyphenyl)-3,8-dimethylpteridine-2,4-dione
CID 8990437
2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one
CID 97032110

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran?
The IUPAC name of 2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran (CID 11069311) is 2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran.
What is the SMILES notation for 2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran?
The canonical SMILES for 2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran is CCOc1ccc(-c2oc(-c3ccc(OCC)c(OC)c3)c(C)c2C)cc1OC.
What is the InChIKey of 2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran?
The InChIKey is FXDSEDUSYJZTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O5/c1-7-27-19-11-9-17(13-21(19)25-5)23-15(3)16(4)24(29-23)18-10-12-20(28-8-2)22(14-18)26-6/h9-14H,7-8H2,1-6H3.
What are the key properties of 2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran?
2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran has a molecular weight of 396.48 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran is sourced from PubChem (CID 11069311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).