4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol

C13H16O4 — CID 19009448

IUPAC4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol
SMILESCOc1cc(C2OCC3COCC32)ccc1O
InChIInChI=1S/C13H16O4/c1-15-12-4-8(2-3-11(12)14)13-10-7-16-5-9(10)6-17-13/h2-4,9-10,13-14H,5-7H2,1H3
InChIKeyBSHIBBJVFKKIFC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.73
Rot. Bonds2

About 4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol

4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol (PubChem CID 19009448) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol
PubChem CID19009448
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol
SMILESCOc1cc(C2OCC3COCC32)ccc1O
InChIInChI=1S/C13H16O4/c1-15-12-4-8(2-3-11(12)14)13-10-7-16-5-9(10)6-17-13/h2-4,9-10,13-14H,5-7H2,1H3
InChIKeyBSHIBBJVFKKIFC-UHFFFAOYSA-N
XLogP1.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol?
The IUPAC name of 4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol (CID 19009448) is 4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol.
What is the SMILES notation for 4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol?
The canonical SMILES for 4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol is COc1cc(C2OCC3COCC32)ccc1O.
What is the InChIKey of 4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol?
The InChIKey is BSHIBBJVFKKIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-15-12-4-8(2-3-11(12)14)13-10-7-16-5-9(10)6-17-13/h2-4,9-10,13-14H,5-7H2,1H3.
What are the key properties of 4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol?
4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol has a molecular weight of 236.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol is sourced from PubChem (CID 19009448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).