(2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol

C16H14FNO2 — CID 114727209

IUPAC(2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)c3cc(F)ccc3N)oc12
InChIInChI=1S/C16H14FNO2/c1-9-3-2-4-10-7-14(20-16(9)10)15(19)12-8-11(17)5-6-13(12)18/h2-8,15,19H,18H2,1H3
InChIKeyJBTADDFDMGEMTG-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.54
Rot. Bonds2

About (2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol

(2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114727209) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
PubChem CID114727209
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name(2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)c3cc(F)ccc3N)oc12
InChIInChI=1S/C16H14FNO2/c1-9-3-2-4-10-7-14(20-16(9)10)15(19)12-8-11(17)5-6-13(12)18/h2-8,15,19H,18H2,1H3
InChIKeyJBTADDFDMGEMTG-UHFFFAOYSA-N
XLogP3.54
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 105093821
(2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045635
(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727130
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 115837557
(2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723269
(7-methyl-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanol
CID 105129303
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
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122296
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726486

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol (CID 114727209) is (2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol is Cc1cccc2cc(C(O)c3cc(F)ccc3N)oc12.
What is the InChIKey of (2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is JBTADDFDMGEMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-9-3-2-4-10-7-14(20-16(9)10)15(19)12-8-11(17)5-6-13(12)18/h2-8,15,19H,18H2,1H3.
What are the key properties of (2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
(2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 271.29 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114727209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).