2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran

C18H26O4 — CID 10686108

IUPAC2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
SMILESCCOC1CC2C(c3ccc(OC)cc3)CCCC2(OC)O1
InChIInChI=1S/C18H26O4/c1-4-21-17-12-16-15(6-5-11-18(16,20-3)22-17)13-7-9-14(19-2)10-8-13/h7-10,15-17H,4-6,11-12H2,1-3H3
InChIKeyRHTJRSPYPCYFCN-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.70
Rot. Bonds5

About 2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran

2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran (PubChem CID 10686108) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran.

Molecular Properties

Compound Name2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
PubChem CID10686108
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
SMILESCCOC1CC2C(c3ccc(OC)cc3)CCCC2(OC)O1
InChIInChI=1S/C18H26O4/c1-4-21-17-12-16-15(6-5-11-18(16,20-3)22-17)13-7-9-14(19-2)10-8-13/h7-10,15-17H,4-6,11-12H2,1-3H3
InChIKeyRHTJRSPYPCYFCN-UHFFFAOYSA-N
XLogP3.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran with MolForge

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Related Compounds

1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
(4S,6S)-6-ethoxy-3-ethyl-4-(4-methoxyphenyl)-2-oxido-5,6-dihydro-4H-oxazin-2-ium
CID 102289259
6-ethoxy-4-(4-methoxyphenyl)-3-methyl-2-oxido-5,6-dihydro-4H-oxazin-2-ium
CID 72956818
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
2-methoxy-6-(4-methoxyphenyl)oxane
CID 68556423
1-(2-chlorocyclopropyl)-4-methoxybenzene
CID 53421606
2-ethyl-3-(4-methoxyphenyl)cyclobutan-1-ol
CID 81416193
methyl (1S,2R,3S)-2-benzyl-3-(4-methoxyphenyl)-1-methylcyclohexane-1-carboxylate
CID 10641738
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 64687156
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 82244560
(2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
CID 915634

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran?
The IUPAC name of 2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran (CID 10686108) is 2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran.
What is the SMILES notation for 2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran?
The canonical SMILES for 2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran is CCOC1CC2C(c3ccc(OC)cc3)CCCC2(OC)O1.
What is the InChIKey of 2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran?
The InChIKey is RHTJRSPYPCYFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-4-21-17-12-16-15(6-5-11-18(16,20-3)22-17)13-7-9-14(19-2)10-8-13/h7-10,15-17H,4-6,11-12H2,1-3H3.
What are the key properties of 2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran?
2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran has a molecular weight of 306.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-7a-methoxy-4-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran is sourced from PubChem (CID 10686108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).