(3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one

C15H11ClO3 — CID 42629986

IUPAC(3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one
SMILESO=C1O[C@@H](COc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H11ClO3/c16-10-5-7-11(8-6-10)18-9-14-12-3-1-2-4-13(12)15(17)19-14/h1-8,14H,9H2/t14-/m0/s1
InChIKeyNZENGFORCCBUJD-AWEZNQCLSA-N
MW274.70 g/mol
LogP3.63
Rot. Bonds3

About (3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one

(3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one (PubChem CID 42629986) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is (3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one
PubChem CID42629986
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name(3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one
SMILESO=C1O[C@@H](COc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H11ClO3/c16-10-5-7-11(8-6-10)18-9-14-12-3-1-2-4-13(12)15(17)19-14/h1-8,14H,9H2/t14-/m0/s1
InChIKeyNZENGFORCCBUJD-AWEZNQCLSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one?
The IUPAC name of (3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one (CID 42629986) is (3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for (3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one?
The canonical SMILES for (3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one is O=C1O[C@@H](COc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of (3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one?
The InChIKey is NZENGFORCCBUJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-10-5-7-11(8-6-10)18-9-14-12-3-1-2-4-13(12)15(17)19-14/h1-8,14H,9H2/t14-/m0/s1.
What are the key properties of (3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one?
(3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one has a molecular weight of 274.70 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-chlorophenoxy)methyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 42629986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).