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

C14H11BrO3 — CID 106886296

IUPAC(3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)c3occc3Br)oc12
InChIInChI=1S/C14H11BrO3/c1-8-3-2-4-9-7-11(18-13(8)9)12(16)14-10(15)5-6-17-14/h2-7,12,16H,1H3
InChIKeyPLHMWPLEJMAPDG-UHFFFAOYSA-N
MW307.14 g/mol
LogP4.18
Rot. Bonds2

About (3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol

(3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol (PubChem CID 106886296) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol
PubChem CID106886296
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Name(3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)c3occc3Br)oc12
InChIInChI=1S/C14H11BrO3/c1-8-3-2-4-9-7-11(18-13(8)9)12(16)14-10(15)5-6-17-14/h2-7,12,16H,1H3
InChIKeyPLHMWPLEJMAPDG-UHFFFAOYSA-N
XLogP4.18
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 54.18
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
(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
(7-methyl-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanol
CID 105129303
3,3,3-trifluoro-1-(7-methyl-1-benzofuran-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312648
(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 105093821
(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114724253
(2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727209
(2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723269
(1S)-1-(7-methyl-1-benzofuran-2-yl)-2-nitroethanol
CID 132500627

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol (CID 106886296) is (3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol is Cc1cccc2cc(C(O)c3occc3Br)oc12.
What is the InChIKey of (3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is PLHMWPLEJMAPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c1-8-3-2-4-9-7-11(18-13(8)9)12(16)14-10(15)5-6-17-14/h2-7,12,16H,1H3.
What are the key properties of (3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol?
(3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 307.14 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 106886296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).