2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol

C20H20O3 — CID 53306438

IUPAC2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol
SMILESCc1ccc(-c2cc3cc4c(cc3o2)OC(C(C)(C)O)C4)cc1
InChIInChI=1S/C20H20O3/c1-12-4-6-13(7-5-12)16-9-14-8-15-10-19(20(2,3)21)23-18(15)11-17(14)22-16/h4-9,11,19,21H,10H2,1-3H3
InChIKeyXQOSLTJOYSLANC-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.48
Rot. Bonds2

About 2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol

2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol (PubChem CID 53306438) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol
PubChem CID53306438
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol
SMILESCc1ccc(-c2cc3cc4c(cc3o2)OC(C(C)(C)O)C4)cc1
InChIInChI=1S/C20H20O3/c1-12-4-6-13(7-5-12)16-9-14-8-15-10-19(20(2,3)21)23-18(15)11-17(14)22-16/h4-9,11,19,21H,10H2,1-3H3
InChIKeyXQOSLTJOYSLANC-UHFFFAOYSA-N
XLogP4.48
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bergamottin
CID 5471349
Khellol Glucoside
CID 441966
6',7'-Dihydroxybergamottin
CID 6440498
7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-2H-chromen-5-ol
CID 641378
Moracin M
CID 185848
Moracin C
CID 155248
4-((3,3-Dimethyloxiran-2-Yl)Methoxy)Furo(3,2-G)Chromen-7-One
CID 160544
Moracin N
CID 641376
Bnc-105
CID 24786555
Oxypeucedanin Hydrate
CID 17536
Moracin P
CID 25208124
Pongamol
CID 689051

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol?
The IUPAC name of 2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol (CID 53306438) is 2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol?
The canonical SMILES for 2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol is Cc1ccc(-c2cc3cc4c(cc3o2)OC(C(C)(C)O)C4)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol?
The InChIKey is XQOSLTJOYSLANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-12-4-6-13(7-5-12)16-9-14-8-15-10-19(20(2,3)21)23-18(15)11-17(14)22-16/h4-9,11,19,21H,10H2,1-3H3.
What are the key properties of 2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol?
2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol has a molecular weight of 308.38 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol is sourced from PubChem (CID 53306438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).