4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol

C14H12ClFO2 — CID 105393986

IUPAC4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESOC1(c2cc(F)ccc2Cl)CCCc2occc21
InChIInChI=1S/C14H12ClFO2/c15-12-4-3-9(16)8-11(12)14(17)6-1-2-13-10(14)5-7-18-13/h3-5,7-8,17H,1-2,6H2
InChIKeyXYWWVFKLDBFOAS-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.64
Rot. Bonds1

About 4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol

4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol (PubChem CID 105393986) has the molecular formula C14H12ClFO2 and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
PubChem CID105393986
Molecular FormulaC14H12ClFO2
Molecular Weight266.70 g/mol
Exact Mass266.05
IUPAC Name4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESOC1(c2cc(F)ccc2Cl)CCCc2occc21
InChIInChI=1S/C14H12ClFO2/c15-12-4-3-9(16)8-11(12)14(17)6-1-2-13-10(14)5-7-18-13/h3-5,7-8,17H,1-2,6H2
InChIKeyXYWWVFKLDBFOAS-UHFFFAOYSA-N
XLogP3.64
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol (CID 105393986) is 4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol is OC1(c2cc(F)ccc2Cl)CCCc2occc21.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The InChIKey is XYWWVFKLDBFOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO2/c15-12-4-3-9(16)8-11(12)14(17)6-1-2-13-10(14)5-7-18-13/h3-5,7-8,17H,1-2,6H2.
What are the key properties of 4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol has a molecular weight of 266.70 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol is sourced from PubChem (CID 105393986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).