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

C15H9Cl2FO2 — CID 115837553

IUPAC(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
SMILESOC(c1cc2cccc(Cl)c2o1)c1cccc(F)c1Cl
InChIInChI=1S/C15H9Cl2FO2/c16-10-5-1-3-8-7-12(20-15(8)10)14(19)9-4-2-6-11(18)13(9)17/h1-7,14,19H
InChIKeyAYXDAHLCJNXAIF-UHFFFAOYSA-N
MW311.14 g/mol
LogP4.96
Rot. Bonds2

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

(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol (PubChem CID 115837553) has the molecular formula C15H9Cl2FO2 and a molecular weight of 311.14 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
PubChem CID115837553
Molecular FormulaC15H9Cl2FO2
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
SMILESOC(c1cc2cccc(Cl)c2o1)c1cccc(F)c1Cl
InChIInChI=1S/C15H9Cl2FO2/c16-10-5-1-3-8-7-12(20-15(8)10)14(19)9-4-2-6-11(18)13(9)17/h1-7,14,19H
InChIKeyAYXDAHLCJNXAIF-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

(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 115837557
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 105048406
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol
CID 114723619
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
(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
(2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726577
(5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723276
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115837002

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol (CID 115837553) is (7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol is OC(c1cc2cccc(Cl)c2o1)c1cccc(F)c1Cl.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol?
The InChIKey is AYXDAHLCJNXAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FO2/c16-10-5-1-3-8-7-12(20-15(8)10)14(19)9-4-2-6-11(18)13(9)17/h1-7,14,19H.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol?
(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-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 (7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol is sourced from PubChem (CID 115837553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).