(2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol

C15H11ClFNO2 — CID 114726577

IUPAC(2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
SMILESNc1cc(Cl)ccc1C(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H11ClFNO2/c16-9-4-5-10(12(18)7-9)14(19)13-6-8-2-1-3-11(17)15(8)20-13/h1-7,14,19H,18H2
InChIKeyKVCOQHZIVAXEEH-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.89
Rot. Bonds2

About (2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol

(2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 114726577) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
PubChem CID114726577
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name(2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
SMILESNc1cc(Cl)ccc1C(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H11ClFNO2/c16-9-4-5-10(12(18)7-9)14(19)13-6-8-2-1-3-11(17)15(8)20-13/h1-7,14,19H,18H2
InChIKeyKVCOQHZIVAXEEH-UHFFFAOYSA-N
XLogP3.89
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.89
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

(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115837002
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726486
(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
CID 115837553
(2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107947837
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
(7-fluoro-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanol
CID 115836932
1-benzofuran-2-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114723565
(2-amino-4-chlorophenyl)-(3-fluorophenyl)methanol
CID 64915603
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanol
CID 114723330
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol
CID 115836962

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol (CID 114726577) is (2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol is Nc1cc(Cl)ccc1C(O)c1cc2cccc(F)c2o1.
What is the InChIKey of (2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is KVCOQHZIVAXEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c16-9-4-5-10(12(18)7-9)14(19)13-6-8-2-1-3-11(17)15(8)20-13/h1-7,14,19H,18H2.
What are the key properties of (2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
(2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 291.71 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114726577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).