(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol

C15H12BrFO2 — CID 114560436

IUPAC(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)c1c(F)cccc1Br
InChIInChI=1S/C15H12BrFO2/c16-11-2-1-3-12(17)14(11)15(18)10-4-5-13-9(8-10)6-7-19-13/h1-5,8,15,18H,6-7H2
InChIKeyPZYRQODGXHYNIW-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.60
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol

(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 114560436) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID114560436
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)c1c(F)cccc1Br
InChIInChI=1S/C15H12BrFO2/c16-11-2-1-3-12(17)14(11)15(18)10-4-5-13-9(8-10)6-7-19-13/h1-5,8,15,18H,6-7H2
InChIKeyPZYRQODGXHYNIW-UHFFFAOYSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105280541
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 107538465
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 65433487
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 106761361
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
2,3-dihydro-1-benzofuran-5-yl-(3-methylphenyl)methanol
CID 61100251
2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
CID 61100080
(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 82799951
(2-bromo-6-fluorophenyl)-naphthalen-2-ylmethanol
CID 114885765
(2-bromo-6-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 114560510

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (CID 114560436) is (2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is OC(c1ccc2c(c1)CCO2)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is PZYRQODGXHYNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c16-11-2-1-3-12(17)14(11)15(18)10-4-5-13-9(8-10)6-7-19-13/h1-5,8,15,18H,6-7H2.
What are the key properties of (2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 323.16 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 114560436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).