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

C17H16BrFO2 — CID 62324329

IUPAC(3-bromo-5-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
SMILESCC1(C)Cc2cc(C(O)c3cc(F)cc(Br)c3)ccc2O1
InChIInChI=1S/C17H16BrFO2/c1-17(2)9-12-5-10(3-4-15(12)21-17)16(20)11-6-13(18)8-14(19)7-11/h3-8,16,20H,9H2,1-2H3
InChIKeyYFMAQNHXCYZANA-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.38
Rot. Bonds2

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

(3-bromo-5-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol (PubChem CID 62324329) has the molecular formula C17H16BrFO2 and a molecular weight of 351.22 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
PubChem CID62324329
Molecular FormulaC17H16BrFO2
Molecular Weight351.22 g/mol
Exact Mass350.03
IUPAC Name(3-bromo-5-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
SMILESCC1(C)Cc2cc(C(O)c3cc(F)cc(Br)c3)ccc2O1
InChIInChI=1S/C17H16BrFO2/c1-17(2)9-12-5-10(3-4-15(12)21-17)16(20)11-6-13(18)8-14(19)7-11/h3-8,16,20H,9H2,1-2H3
InChIKeyYFMAQNHXCYZANA-UHFFFAOYSA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The IUPAC name of (3-bromo-5-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol (CID 62324329) is (3-bromo-5-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol is CC1(C)Cc2cc(C(O)c3cc(F)cc(Br)c3)ccc2O1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The InChIKey is YFMAQNHXCYZANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO2/c1-17(2)9-12-5-10(3-4-15(12)21-17)16(20)11-6-13(18)8-14(19)7-11/h3-8,16,20H,9H2,1-2H3.
What are the key properties of (3-bromo-5-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
(3-bromo-5-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol has a molecular weight of 351.22 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 62324329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).