6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one

C17H16O5 — CID 86192191

IUPAC6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one
SMILESCOc1c(OCc2ccccc2)cc2c(c1OC)OCC2=O
InChIInChI=1S/C17H16O5/c1-19-16-14(21-9-11-6-4-3-5-7-11)8-12-13(18)10-22-15(12)17(16)20-2/h3-8H,9-10H2,1-2H3
InChIKeyKSPJPOVVCAPGOO-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.86
Rot. Bonds5

About 6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one

6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one (PubChem CID 86192191) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one
PubChem CID86192191
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one
SMILESCOc1c(OCc2ccccc2)cc2c(c1OC)OCC2=O
InChIInChI=1S/C17H16O5/c1-19-16-14(21-9-11-6-4-3-5-7-11)8-12-13(18)10-22-15(12)17(16)20-2/h3-8H,9-10H2,1-2H3
InChIKeyKSPJPOVVCAPGOO-UHFFFAOYSA-N
XLogP2.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-8-phenylmethoxychromen-4-one
CID 10550673
(11S,12S)-11,12-dimethoxy-3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione
CID 56927572
5-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598853
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71659035
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one
CID 163961951
5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 23385218
2-(4-oxo-8-phenylmethoxychromen-3-ylidene)acetic acid
CID 139756012
3,4-bis[(3-methoxy-4-phenylmethoxyphenyl)(113C)methyl]oxolan-2-one
CID 158275652

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one?
The IUPAC name of 6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one (CID 86192191) is 6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one.
What is the SMILES notation for 6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one?
The canonical SMILES for 6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one is COc1c(OCc2ccccc2)cc2c(c1OC)OCC2=O.
What is the InChIKey of 6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one?
The InChIKey is KSPJPOVVCAPGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-19-16-14(21-9-11-6-4-3-5-7-11)8-12-13(18)10-22-15(12)17(16)20-2/h3-8H,9-10H2,1-2H3.
What are the key properties of 6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one?
6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one has a molecular weight of 300.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one is sourced from PubChem (CID 86192191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).