(3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one

C20H13ClO3 — CID 7407836

IUPAC(3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one
SMILESO=C1O[C@](Oc2ccccc2)(c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C20H13ClO3/c21-15-12-10-14(11-13-15)20(23-16-6-2-1-3-7-16)18-9-5-4-8-17(18)19(22)24-20/h1-13H/t20-/m1/s1
InChIKeyPCBLJZDVXRAMGE-HXUWFJFHSA-N
MW336.77 g/mol
LogP4.79
Rot. Bonds3

About (3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one

(3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one (PubChem CID 7407836) has the molecular formula C20H13ClO3 and a molecular weight of 336.77 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one
PubChem CID7407836
Molecular FormulaC20H13ClO3
Molecular Weight336.77 g/mol
Exact Mass336.06
IUPAC Name(3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one
SMILESO=C1O[C@](Oc2ccccc2)(c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C20H13ClO3/c21-15-12-10-14(11-13-15)20(23-16-6-2-1-3-7-16)18-9-5-4-8-17(18)19(22)24-20/h1-13H/t20-/m1/s1
InChIKeyPCBLJZDVXRAMGE-HXUWFJFHSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one
CID 102060867
(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
CID 1224663
3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one
CID 10920180
N-tert-butyl-3-phenoxy-3-phenyl-2-benzofuran-1-imine
CID 135002276
3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one
CID 2844898
3-chloro-3-iodo-2-benzofuran-1-one
CID 121481458
3,3-bis[4-[(2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)oxy]phenyl]-2-benzofuran-1-one
CID 102434418
3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one
CID 24971517
6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(3-sulfanylphenoxy)-2-benzofuran-1-one
CID 54229446
3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
3-(nitromethyl)-3-phenyl-2-benzofuran-1-one
CID 177465354

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one (CID 7407836) is (3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one is O=C1O[C@](Oc2ccccc2)(c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one?
The InChIKey is PCBLJZDVXRAMGE-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H13ClO3/c21-15-12-10-14(11-13-15)20(23-16-6-2-1-3-7-16)18-9-5-4-8-17(18)19(22)24-20/h1-13H/t20-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one?
(3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one has a molecular weight of 336.77 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-3-phenoxy-2-benzofuran-1-one is sourced from PubChem (CID 7407836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).