1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid

C14H14O5 — CID 117409785

IUPAC1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2c3c(c(O)c4c2OCC4)OCC3)CC1
InChIInChI=1S/C14H14O5/c15-10-8-2-6-18-11(8)9(7-1-5-19-12(7)10)14(3-4-14)13(16)17/h15H,1-6H2,(H,16,17)
InChIKeyHGZBHBIMWYBMHL-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.38
Rot. Bonds2

About 1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid

1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid (PubChem CID 117409785) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid
PubChem CID117409785
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2c3c(c(O)c4c2OCC4)OCC3)CC1
InChIInChI=1S/C14H14O5/c15-10-8-2-6-18-11(8)9(7-1-5-19-12(7)10)14(3-4-14)13(16)17/h15H,1-6H2,(H,16,17)
InChIKeyHGZBHBIMWYBMHL-UHFFFAOYSA-N
XLogP1.38
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117440448
2-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetic acid
CID 117344271
10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol
CID 117467561
3-amino-2-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid
CID 117416727
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)oxetane-3-carboxylic acid
CID 116986324
1-(5-chloro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopropane-1-carboxylic acid
CID 117429567
1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid
CID 117373348
4-amino-4-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid
CID 117447611
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid
CID 117414944
8-(2-hydroxyethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117317683
(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride
CID 117469726
1-(7-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropane-1-carboxylic acid
CID 117344322

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid (CID 117409785) is 1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2c3c(c(O)c4c2OCC4)OCC3)CC1.
What is the InChIKey of 1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid?
The InChIKey is HGZBHBIMWYBMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c15-10-8-2-6-18-11(8)9(7-1-5-19-12(7)10)14(3-4-14)13(16)17/h15H,1-6H2,(H,16,17).
What are the key properties of 1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid?
1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117409785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).