(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol

C15H12ClFO2 — CID 104543259

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol
SMILESOC(c1ccccc1F)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H12ClFO2/c16-10-7-9-5-6-19-15(9)12(8-10)14(18)11-3-1-2-4-13(11)17/h1-4,7-8,14,18H,5-6H2
InChIKeyZTYJWFFNMGOFIE-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.50
Rot. Bonds2

About (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol (PubChem CID 104543259) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol
PubChem CID104543259
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol
SMILESOC(c1ccccc1F)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H12ClFO2/c16-10-7-9-5-6-19-15(9)12(8-10)14(18)11-3-1-2-4-13(11)17/h1-4,7-8,14,18H,5-6H2
InChIKeyZTYJWFFNMGOFIE-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-difluorophenyl)methanol
CID 104543072
(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 104543168
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol
CID 104543145
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 104543117
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 104545535
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-hydroxymethyl]benzoic acid
CID 104546150
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol
CID 106688939
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol
CID 104632781
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
7-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 114560746
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol (CID 104543259) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol is OC(c1ccccc1F)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol?
The InChIKey is ZTYJWFFNMGOFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c16-10-7-9-5-6-19-15(9)12(8-10)14(18)11-3-1-2-4-13(11)17/h1-4,7-8,14,18H,5-6H2.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol has a molecular weight of 278.71 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol is sourced from PubChem (CID 104543259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).