(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol

C16H12ClFO2 — CID 115837002

IUPAC(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
SMILESCc1ccc(Cl)cc1C(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H12ClFO2/c1-9-5-6-11(17)8-12(9)15(19)14-7-10-3-2-4-13(18)16(10)20-14/h2-8,15,19H,1H3
InChIKeyFKJGGMRVAZHRFY-UHFFFAOYSA-N
MW290.72 g/mol
LogP4.62
Rot. Bonds2

About (5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol

(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 115837002) has the molecular formula C16H12ClFO2 and a molecular weight of 290.72 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
PubChem CID115837002
Molecular FormulaC16H12ClFO2
Molecular Weight290.72 g/mol
Exact Mass290.05
IUPAC Name(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
SMILESCc1ccc(Cl)cc1C(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H12ClFO2/c1-9-5-6-11(17)8-12(9)15(19)14-7-10-3-2-4-13(18)16(10)20-14/h2-8,15,19H,1H3
InChIKeyFKJGGMRVAZHRFY-UHFFFAOYSA-N
XLogP4.62
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726577
(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 114723604
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726486
(5-chloro-2-methylphenyl)-(2,3-difluorophenyl)methanol
CID 115800933
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol
CID 115836972
(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-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol
CID 115837576
(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

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol (CID 115837002) is (5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol is Cc1ccc(Cl)cc1C(O)c1cc2cccc(F)c2o1.
What is the InChIKey of (5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is FKJGGMRVAZHRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFO2/c1-9-5-6-11(17)8-12(9)15(19)14-7-10-3-2-4-13(18)16(10)20-14/h2-8,15,19H,1H3.
What are the key properties of (5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 290.72 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 115837002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).