(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol

C17H18O3 — CID 115836437

IUPAC(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2cc3cccc(C)c3o2)c1C
InChIInChI=1S/C17H18O3/c1-9-6-5-7-13-8-14(20-17(9)13)16(18)15-10(2)11(3)19-12(15)4/h5-8,16,18H,1-4H3
InChIKeyCJHHXUOCZOAZGK-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.34
Rot. Bonds2

About (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol

(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol (PubChem CID 115836437) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
PubChem CID115836437
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2cc3cccc(C)c3o2)c1C
InChIInChI=1S/C17H18O3/c1-9-6-5-7-13-8-14(20-17(9)13)16(18)15-10(2)11(3)19-12(15)4/h5-8,16,18H,1-4H3
InChIKeyCJHHXUOCZOAZGK-UHFFFAOYSA-N
XLogP4.34
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
(3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723638
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723344
(7-methyl-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanol
CID 105129303
(3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 106886296
3,3,3-trifluoro-1-(7-methyl-1-benzofuran-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312648
(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114724253
(2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723269
(2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727209
(7-methyl-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 115836487
(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727130

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
The IUPAC name of (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol (CID 115836437) is (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol.
What is the SMILES notation for (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
The canonical SMILES for (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol is Cc1oc(C)c(C(O)c2cc3cccc(C)c3o2)c1C.
What is the InChIKey of (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
The InChIKey is CJHHXUOCZOAZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-9-6-5-7-13-8-14(20-17(9)13)16(18)15-10(2)11(3)19-12(15)4/h5-8,16,18H,1-4H3.
What are the key properties of (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol has a molecular weight of 270.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol is sourced from PubChem (CID 115836437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).