(3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one

C28H18O4 — CID 101368746

IUPAC(3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2[C@]1(c1ccccc1)[C@@]1(c2ccccc2)C(=O)Oc2ccccc21
InChIInChI=1S/C28H18O4/c29-25-27(19-11-3-1-4-12-19,21-15-7-9-17-23(21)31-25)28(20-13-5-2-6-14-20)22-16-8-10-18-24(22)32-26(28)30/h1-18H/t27-,28+
InChIKeyALSCKTWABKOJLR-HNRBIFIRSA-N
MW418.45 g/mol
LogP4.80
Rot. Bonds3

About (3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one

(3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one (PubChem CID 101368746) has the molecular formula C28H18O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is (3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one.

Molecular Properties

Compound Name(3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one
PubChem CID101368746
Molecular FormulaC28H18O4
Molecular Weight418.45 g/mol
Exact Mass418.12
IUPAC Name(3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2[C@]1(c1ccccc1)[C@@]1(c2ccccc2)C(=O)Oc2ccccc21
InChIInChI=1S/C28H18O4/c29-25-27(19-11-3-1-4-12-19,21-15-7-9-17-23(21)31-25)28(20-13-5-2-6-14-20)22-16-8-10-18-24(22)32-26(28)30/h1-18H/t27-,28+
InChIKeyALSCKTWABKOJLR-HNRBIFIRSA-N
XLogP4.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-3-methyl-1-benzofuran-2-one
CID 86145781
3-nonyl-3-phenyl-1-benzofuran-2-one
CID 23503882
2-[(2-oxo-3-phenyl-1-benzofuran-3-yl)methyl]isoindole-1,3-dione
CID 517851
(3S)-3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one
CID 66584151
3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one
CID 13001542
(3S)-3-[(2-methylphenyl)methyl]-3-phenyl-1-benzofuran-2-one
CID 162398251
3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride
CID 70683055
(10bR)-10b-phenyl-1H-[1,3]oxazolo[3,4-c][1,3]benzoxazine-3,5-dione
CID 138979221
3-(4-bromophenyl)-3-fluoro-1-benzofuran-2-one
CID 164676802
3-acetyl-3-hydroxy-1-benzofuran-2-one
CID 59771901
3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
CID 138400584
(3S)-3-benzyl-3-benzylsulfanyl-1-benzofuran-2-one
CID 162399233

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one?
The IUPAC name of (3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one (CID 101368746) is (3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one.
What is the SMILES notation for (3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one?
The canonical SMILES for (3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one is O=C1Oc2ccccc2[C@]1(c1ccccc1)[C@@]1(c2ccccc2)C(=O)Oc2ccccc21.
What is the InChIKey of (3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one?
The InChIKey is ALSCKTWABKOJLR-HNRBIFIRSA-N. The full InChI is InChI=1S/C28H18O4/c29-25-27(19-11-3-1-4-12-19,21-15-7-9-17-23(21)31-25)28(20-13-5-2-6-14-20)22-16-8-10-18-24(22)32-26(28)30/h1-18H/t27-,28+.
What are the key properties of (3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one?
(3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one has a molecular weight of 418.45 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one is sourced from PubChem (CID 101368746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).