3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol

C19H18O4 — CID 53306269

IUPAC3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol
SMILESCC(C)(O)C1Cc2cc3cc(-c4cccc(O)c4)oc3cc2O1
InChIInChI=1S/C19H18O4/c1-19(2,21)18-9-13-6-12-8-15(11-4-3-5-14(20)7-11)22-16(12)10-17(13)23-18/h3-8,10,18,20-21H,9H2,1-2H3
InChIKeyMXJCXSBISLNFLF-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.88
Rot. Bonds2

About 3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol

3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol (PubChem CID 53306269) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol.

Molecular Properties

Compound Name3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol
PubChem CID53306269
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol
SMILESCC(C)(O)C1Cc2cc3cc(-c4cccc(O)c4)oc3cc2O1
InChIInChI=1S/C19H18O4/c1-19(2,21)18-9-13-6-12-8-15(11-4-3-5-14(20)7-11)22-16(12)10-17(13)23-18/h3-8,10,18,20-21H,9H2,1-2H3
InChIKeyMXJCXSBISLNFLF-UHFFFAOYSA-N
XLogP3.88
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

Isoimperatorin
CID 68081
Vitexin
CID 5280441
Isovitexin
CID 162350
Bergamottin
CID 5471349
12A-Hydroxyrotenone
CID 68184
Bergaptol
CID 5280371
Visnagin
CID 6716
Psoralidin
CID 5281806
Karanjin
CID 100633
Osajin
CID 95168
Glabrone
CID 5317652
Pomiferin
CID 4871

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol?
The IUPAC name of 3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol (CID 53306269) is 3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol.
What is the SMILES notation for 3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol?
The canonical SMILES for 3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol is CC(C)(O)C1Cc2cc3cc(-c4cccc(O)c4)oc3cc2O1.
What is the InChIKey of 3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol?
The InChIKey is MXJCXSBISLNFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-19(2,21)18-9-13-6-12-8-15(11-4-3-5-14(20)7-11)22-16(12)10-17(13)23-18/h3-8,10,18,20-21H,9H2,1-2H3.
What are the key properties of 3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol?
3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol has a molecular weight of 310.35 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol is sourced from PubChem (CID 53306269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).