7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one

C27H24O6 — CID 141283555

IUPAC7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one
SMILESCOc1ccc2oc(COc3ccc(COc4ccc5c(c4)OC(=O)CC5C)cc3)cc2c1
InChIInChI=1S/C27H24O6/c1-17-11-27(28)33-26-14-22(7-9-24(17)26)30-15-18-3-5-20(6-4-18)31-16-23-13-19-12-21(29-2)8-10-25(19)32-23/h3-10,12-14,17H,11,15-16H2,1-2H3
InChIKeyKFVHVJFMVWSLOW-UHFFFAOYSA-N
MW444.48 g/mol
LogP6.01
Rot. Bonds7

About 7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one

7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one (PubChem CID 141283555) has the molecular formula C27H24O6 and a molecular weight of 444.48 g/mol. Its IUPAC name is 7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one
PubChem CID141283555
Molecular FormulaC27H24O6
Molecular Weight444.48 g/mol
Exact Mass444.16
IUPAC Name7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one
SMILESCOc1ccc2oc(COc3ccc(COc4ccc5c(c4)OC(=O)CC5C)cc3)cc2c1
InChIInChI=1S/C27H24O6/c1-17-11-27(28)33-26-14-22(7-9-24(17)26)30-15-18-3-5-20(6-4-18)31-16-23-13-19-12-21(29-2)8-10-25(19)32-23/h3-10,12-14,17H,11,15-16H2,1-2H3
InChIKeyKFVHVJFMVWSLOW-UHFFFAOYSA-N
XLogP6.01
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.48
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one with MolForge

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Related Compounds

7-(4-bromobutoxy)-4-methyl-3,4-dihydrochromen-2-one
CID 155667336
(4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one
CID 134834405
2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
CID 117185258
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
4-(2-ethoxy-4-methoxyphenyl)-7-hydroxy-3,4-dihydrochromen-2-one
CID 20984581
6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 44601497
methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate
CID 71753565
(3R,4S)-7-methoxy-3-phenyl-4-(4-phenylmethoxyphenyl)-3,4-dihydrochromen-2-one
CID 134938886
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 101014337
2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane
CID 145235878
2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
CID 117185820

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one?
The IUPAC name of 7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one (CID 141283555) is 7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one is COc1ccc2oc(COc3ccc(COc4ccc5c(c4)OC(=O)CC5C)cc3)cc2c1.
What is the InChIKey of 7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one?
The InChIKey is KFVHVJFMVWSLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O6/c1-17-11-27(28)33-26-14-22(7-9-24(17)26)30-15-18-3-5-20(6-4-18)31-16-23-13-19-12-21(29-2)8-10-25(19)32-23/h3-10,12-14,17H,11,15-16H2,1-2H3.
What are the key properties of 7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one?
7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one has a molecular weight of 444.48 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 141283555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).