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

C16H12ClFO2 — CID 114726426

IUPAC(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H12ClFO2/c1-9-2-4-12(18)8-13(9)16(19)15-7-10-6-11(17)3-5-14(10)20-15/h2-8,16,19H,1H3
InChIKeyXDJOWLVPRMSOBG-UHFFFAOYSA-N
MW290.72 g/mol
LogP4.62
Rot. Bonds2

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

(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol (PubChem CID 114726426) has the molecular formula C16H12ClFO2 and a molecular weight of 290.72 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
PubChem CID114726426
Molecular FormulaC16H12ClFO2
Molecular Weight290.72 g/mol
Exact Mass290.05
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H12ClFO2/c1-9-2-4-12(18)8-13(9)16(19)15-7-10-6-11(17)3-5-14(10)20-15/h2-8,16,19H,1H3
InChIKeyXDJOWLVPRMSOBG-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

(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046147
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636
(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
CID 106859550
(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methanol
CID 55133948
(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
CID 114724925
(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969916
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836603
(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727131
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114726981
(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115837002

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol (CID 114726426) is (5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol is Cc1ccc(F)cc1C(O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol?
The InChIKey is XDJOWLVPRMSOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFO2/c1-9-2-4-12(18)8-13(9)16(19)15-7-10-6-11(17)3-5-14(10)20-15/h2-8,16,19H,1H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol?
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-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 (5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 114726426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).