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

C15H9Cl2FO2 — CID 114724925

IUPAC(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
SMILESOC(c1cc(F)cc(Cl)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H9Cl2FO2/c16-10-1-2-13-8(3-10)6-14(20-13)15(19)9-4-11(17)7-12(18)5-9/h1-7,15,19H
InChIKeyRTVUQHFKYQOHEU-UHFFFAOYSA-N
MW311.14 g/mol
LogP4.96
Rot. Bonds2

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

(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol (PubChem CID 114724925) has the molecular formula C15H9Cl2FO2 and a molecular weight of 311.14 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
PubChem CID114724925
Molecular FormulaC15H9Cl2FO2
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
SMILESOC(c1cc(F)cc(Cl)c1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H9Cl2FO2/c16-10-1-2-13-8(3-10)6-14(20-13)15(19)9-4-11(17)7-12(18)5-9/h1-7,15,19H
InChIKeyRTVUQHFKYQOHEU-UHFFFAOYSA-N
XLogP4.96
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112
[(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105207773
(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol
CID 114727055
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114726981
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727131
(5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 114724822
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol
CID 114723930

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol (CID 114724925) is (5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol is OC(c1cc(F)cc(Cl)c1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol?
The InChIKey is RTVUQHFKYQOHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FO2/c16-10-1-2-13-8(3-10)6-14(20-13)15(19)9-4-11(17)7-12(18)5-9/h1-7,15,19H.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol?
(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol has a molecular weight of 311.14 g/mol, XLogP of 4.96, 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)-(3-chloro-5-fluorophenyl)methanol is sourced from PubChem (CID 114724925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).