(2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol

C15H15BrO3 — CID 106855386

IUPAC(2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
SMILESCC1(C)Cc2cc(C(O)c3ccoc3Br)ccc2O1
InChIInChI=1S/C15H15BrO3/c1-15(2)8-10-7-9(3-4-12(10)19-15)13(17)11-5-6-18-14(11)16/h3-7,13,17H,8H2,1-2H3
InChIKeyDFGHEYHPOASZCE-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.84
Rot. Bonds2

About (2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol

(2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol (PubChem CID 106855386) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
PubChem CID106855386
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name(2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
SMILESCC1(C)Cc2cc(C(O)c3ccoc3Br)ccc2O1
InChIInChI=1S/C15H15BrO3/c1-15(2)8-10-7-9(3-4-12(10)19-15)13(17)11-5-6-18-14(11)16/h3-7,13,17H,8H2,1-2H3
InChIKeyDFGHEYHPOASZCE-UHFFFAOYSA-N
XLogP3.84
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol
CID 62326718
(5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 63427339
(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 62660576
(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 79996565
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol
CID 62325437
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol
CID 79683741
5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran
CID 63447752
5-(1-bromo-2-ethylbutyl)-2,2-dimethyl-3H-1-benzofuran
CID 63447709
cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 55061675
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine
CID 62326697
(4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
CID 62324313
5-[(2-bromo-5-fluorophenyl)-chloromethyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447881

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The IUPAC name of (2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol (CID 106855386) is (2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The canonical SMILES for (2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol is CC1(C)Cc2cc(C(O)c3ccoc3Br)ccc2O1.
What is the InChIKey of (2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The InChIKey is DFGHEYHPOASZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3/c1-15(2)8-10-7-9(3-4-12(10)19-15)13(17)11-5-6-18-14(11)16/h3-7,13,17H,8H2,1-2H3.
What are the key properties of (2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
(2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol has a molecular weight of 323.19 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 106855386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).