(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol

C16H12ClFO2 — CID 115837454

IUPAC(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc3cccc(Cl)c3o2)c(F)c1
InChIInChI=1S/C16H12ClFO2/c1-9-5-6-11(13(18)7-9)15(19)14-8-10-3-2-4-12(17)16(10)20-14/h2-8,15,19H,1H3
InChIKeyCHIVGRKHODHLFH-UHFFFAOYSA-N
MW290.72 g/mol
LogP4.62
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol

(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol (PubChem CID 115837454) has the molecular formula C16H12ClFO2 and a molecular weight of 290.72 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
PubChem CID115837454
Molecular FormulaC16H12ClFO2
Molecular Weight290.72 g/mol
Exact Mass290.05
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc3cccc(Cl)c3o2)c(F)c1
InChIInChI=1S/C16H12ClFO2/c1-9-5-6-11(13(18)7-9)15(19)14-8-10-3-2-4-12(17)16(10)20-14/h2-8,15,19H,1H3
InChIKeyCHIVGRKHODHLFH-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

(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
CID 115837553
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105048451
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol
CID 114723619
(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 115837557
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726486
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol
CID 115837576
(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115837002
(2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726577
(7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114724689
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol (CID 115837454) is (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol is Cc1ccc(C(O)c2cc3cccc(Cl)c3o2)c(F)c1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol?
The InChIKey is CHIVGRKHODHLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFO2/c1-9-5-6-11(13(18)7-9)15(19)14-8-10-3-2-4-12(17)16(10)20-14/h2-8,15,19H,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol?
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)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 (7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 115837454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).