(2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one

C30H22O6 — CID 11826912

IUPAC(2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)O[C@](c1ccccc1)([C@]1(c3ccccc3)Oc3cc(OC)ccc3C1=O)C2=O
InChIInChI=1S/C30H22O6/c1-33-21-13-15-23-25(17-21)35-29(27(23)31,19-9-5-3-6-10-19)30(20-11-7-4-8-12-20)28(32)24-16-14-22(34-2)18-26(24)36-30/h3-18H,1-2H3/t29-,30+
InChIKeyVCOBZGNQYASJJI-RNPORBBMSA-N
MW478.50 g/mol
LogP5.35
Rot. Bonds5

About (2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one

(2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one (PubChem CID 11826912) has the molecular formula C30H22O6 and a molecular weight of 478.50 g/mol. Its IUPAC name is (2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one.

Molecular Properties

Compound Name(2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one
PubChem CID11826912
Molecular FormulaC30H22O6
Molecular Weight478.50 g/mol
Exact Mass478.14
IUPAC Name(2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)O[C@](c1ccccc1)([C@]1(c3ccccc3)Oc3cc(OC)ccc3C1=O)C2=O
InChIInChI=1S/C30H22O6/c1-33-21-13-15-23-25(17-21)35-29(27(23)31,19-9-5-3-6-10-19)30(20-11-7-4-8-12-20)28(32)24-16-14-22(34-2)18-26(24)36-30/h3-18H,1-2H3/t29-,30+
InChIKeyVCOBZGNQYASJJI-RNPORBBMSA-N
XLogP5.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.50
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1aR,7aS)-4-methoxy-1a-methyl-7a-phenyloxireno[2,3-b]chromen-7-one
CID 1276783
(1aS,7aR)-1a-ethyl-4-methoxy-7a-phenyloxireno[2,3-b]chromen-7-one
CID 102572256
2,2-dibromo-6-methoxy-1-benzofuran-3-one
CID 5325532
1a-ethyl-4-methoxy-7a-(2-methoxyphenyl)oxireno[2,3-b]chromen-7-one
CID 10616101
(2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one
CID 150532948
7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 3044476
4-methoxy-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-8-one
CID 91064588
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
(2S,3S)-6-methoxy-2-methyl-2-phenyl-1,3λ4-benzoxathiole 3-oxide
CID 134869649
7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one
CID 82277925
2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
3,7-dimethoxy-2,2-dimethyl-3H-chromen-4-one
CID 70492081

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one?
The IUPAC name of (2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one (CID 11826912) is (2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one.
What is the SMILES notation for (2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one?
The canonical SMILES for (2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one is COc1ccc2c(c1)O[C@](c1ccccc1)([C@]1(c3ccccc3)Oc3cc(OC)ccc3C1=O)C2=O.
What is the InChIKey of (2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one?
The InChIKey is VCOBZGNQYASJJI-RNPORBBMSA-N. The full InChI is InChI=1S/C30H22O6/c1-33-21-13-15-23-25(17-21)35-29(27(23)31,19-9-5-3-6-10-19)30(20-11-7-4-8-12-20)28(32)24-16-14-22(34-2)18-26(24)36-30/h3-18H,1-2H3/t29-,30+.
What are the key properties of (2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one?
(2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one has a molecular weight of 478.50 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one is sourced from PubChem (CID 11826912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).