(5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol

C18H18O3 — CID 114723550

IUPAC(5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol
SMILESCc1ccc2oc(C(O)c3ccc(C4CC4C)o3)cc2c1
InChIInChI=1S/C18H18O3/c1-10-3-4-14-12(7-10)9-17(20-14)18(19)16-6-5-15(21-16)13-8-11(13)2/h3-7,9,11,13,18-19H,8H2,1-2H3
InChIKeyFUTKUHZPWYEMRX-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.54
Rot. Bonds3

About (5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol

(5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol (PubChem CID 114723550) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol.

Molecular Properties

Compound Name(5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol
PubChem CID114723550
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol
SMILESCc1ccc2oc(C(O)c3ccc(C4CC4C)o3)cc2c1
InChIInChI=1S/C18H18O3/c1-10-3-4-14-12(7-10)9-17(20-14)18(19)16-6-5-15(21-16)13-8-11(13)2/h3-7,9,11,13,18-19H,8H2,1-2H3
InChIKeyFUTKUHZPWYEMRX-UHFFFAOYSA-N
XLogP4.54
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
[5-(2-methylcyclopropyl)furan-2-yl]-(3-methylthiophen-2-yl)methanol
CID 79991287
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
furan-3-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723617
(5-methyl-1-benzofuran-2-yl)-(oxan-4-yl)methanol
CID 114723696
(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727481
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112
(4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 102829575
(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723556
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460
1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836357
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
The IUPAC name of (5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol (CID 114723550) is (5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol.
What is the SMILES notation for (5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
The canonical SMILES for (5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol is Cc1ccc2oc(C(O)c3ccc(C4CC4C)o3)cc2c1.
What is the InChIKey of (5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
The InChIKey is FUTKUHZPWYEMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-10-3-4-14-12(7-10)9-17(20-14)18(19)16-6-5-15(21-16)13-8-11(13)2/h3-7,9,11,13,18-19H,8H2,1-2H3.
What are the key properties of (5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
(5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol has a molecular weight of 282.34 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol is sourced from PubChem (CID 114723550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).