1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol

C18H14O3 — CID 114723563

IUPAC1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)c3cc4ccccc4o3)oc12
InChIInChI=1S/C18H14O3/c1-11-5-4-7-13-10-16(21-18(11)13)17(19)15-9-12-6-2-3-8-14(12)20-15/h2-10,17,19H,1H3
InChIKeyZHZBXDWFMDXXJP-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.57
Rot. Bonds2

About 1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol

1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114723563) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
PubChem CID114723563
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)c3cc4ccccc4o3)oc12
InChIInChI=1S/C18H14O3/c1-11-5-4-7-13-10-16(21-18(11)13)17(19)15-9-12-6-2-3-8-14(12)20-15/h2-10,17,19H,1H3
InChIKeyZHZBXDWFMDXXJP-UHFFFAOYSA-N
XLogP4.57
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114723565
(3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723638
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115836437
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723344
(2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723269
(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
1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol
CID 107103499
3,3,3-trifluoro-1-(7-methyl-1-benzofuran-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312648
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
(2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727209

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of 1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol (CID 114723563) is 1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for 1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol is Cc1cccc2cc(C(O)c3cc4ccccc4o3)oc12.
What is the InChIKey of 1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is ZHZBXDWFMDXXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-11-5-4-7-13-10-16(21-18(11)13)17(19)15-9-12-6-2-3-8-14(12)20-15/h2-10,17,19H,1H3.
What are the key properties of 1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol?
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 278.31 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114723563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).