(3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol

C14H11ClO2 — CID 940711

IUPAC(3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol
SMILESO[C@@]1(c2ccccc2)COc2ccc(Cl)cc21
InChIInChI=1S/C14H11ClO2/c15-11-6-7-13-12(8-11)14(16,9-17-13)10-4-2-1-3-5-10/h1-8,16H,9H2/t14-/m1/s1
InChIKeyDPINFTJDJCVYJG-CQSZACIVSA-N
MW246.69 g/mol
LogP2.97
Rot. Bonds1

About (3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol

(3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol (PubChem CID 940711) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is (3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol.

Molecular Properties

Compound Name(3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol
PubChem CID940711
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name(3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol
SMILESO[C@@]1(c2ccccc2)COc2ccc(Cl)cc21
InChIInChI=1S/C14H11ClO2/c15-11-6-7-13-12(8-11)14(16,9-17-13)10-4-2-1-3-5-10/h1-8,16H,9H2/t14-/m1/s1
InChIKeyDPINFTJDJCVYJG-CQSZACIVSA-N
XLogP2.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol?
The IUPAC name of (3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol (CID 940711) is (3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol.
What is the SMILES notation for (3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol?
The canonical SMILES for (3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol is O[C@@]1(c2ccccc2)COc2ccc(Cl)cc21.
What is the InChIKey of (3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol?
The InChIKey is DPINFTJDJCVYJG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H11ClO2/c15-11-6-7-13-12(8-11)14(16,9-17-13)10-4-2-1-3-5-10/h1-8,16H,9H2/t14-/m1/s1.
What are the key properties of (3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol?
(3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol has a molecular weight of 246.69 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-3-phenyl-2H-1-benzofuran-3-ol is sourced from PubChem (CID 940711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).