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

C17H16BrFO2 — CID 62326339

IUPAC(5-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
SMILESCC1(C)Cc2cc(C(O)c3cc(Br)ccc3F)ccc2O1
InChIInChI=1S/C17H16BrFO2/c1-17(2)9-11-7-10(3-6-15(11)21-17)16(20)13-8-12(18)4-5-14(13)19/h3-8,16,20H,9H2,1-2H3
InChIKeyCJZNTMDUXKKWBT-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.38
Rot. Bonds2

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

(5-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol (PubChem CID 62326339) has the molecular formula C17H16BrFO2 and a molecular weight of 351.22 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
PubChem CID62326339
Molecular FormulaC17H16BrFO2
Molecular Weight351.22 g/mol
Exact Mass350.03
IUPAC Name(5-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
SMILESCC1(C)Cc2cc(C(O)c3cc(Br)ccc3F)ccc2O1
InChIInChI=1S/C17H16BrFO2/c1-17(2)9-11-7-10(3-6-15(11)21-17)16(20)13-8-12(18)4-5-14(13)19/h3-8,16,20H,9H2,1-2H3
InChIKeyCJZNTMDUXKKWBT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol (CID 62326339) is (5-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol is CC1(C)Cc2cc(C(O)c3cc(Br)ccc3F)ccc2O1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The InChIKey is CJZNTMDUXKKWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO2/c1-17(2)9-11-7-10(3-6-15(11)21-17)16(20)13-8-12(18)4-5-14(13)19/h3-8,16,20H,9H2,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
(5-bromo-2-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 (5-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 62326339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).