4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one

C20H16O5 — CID 142720681

IUPAC4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2c(O)c3c(cc2cc1OCc1ccccc1)COC3=O
InChIInChI=1S/C20H16O5/c1-23-16-9-15-13(7-14-11-25-20(22)18(14)19(15)21)8-17(16)24-10-12-5-3-2-4-6-12/h2-9,21H,10-11H2,1H3
InChIKeyANLFNTDEMUTOFB-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.80
Rot. Bonds4

About 4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one

4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one (PubChem CID 142720681) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is 4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one
PubChem CID142720681
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Name4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2c(O)c3c(cc2cc1OCc1ccccc1)COC3=O
InChIInChI=1S/C20H16O5/c1-23-16-9-15-13(7-14-11-25-20(22)18(14)19(15)21)8-17(16)24-10-12-5-3-2-4-6-12/h2-9,21H,10-11H2,1H3
InChIKeyANLFNTDEMUTOFB-UHFFFAOYSA-N
XLogP3.80
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
CID 73013799
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one
CID 126484702
5,13-dimethoxy-10-methyl-4,14-bis(phenylmethoxy)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
CID 135025053
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
CID 102295970
4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394194
4-[2-[bis(2-hydroxyethyl)amino]pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one;hydrochloride
CID 171059390
N-[5-(6,7-dimethoxy-3-oxo-1H-benzo[f][2]benzofuran-4-yl)-2-pyridinyl]-N-methylacetamide
CID 165394309
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione
CID 11185633
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one (CID 142720681) is 4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one is COc1cc2c(O)c3c(cc2cc1OCc1ccccc1)COC3=O.
What is the InChIKey of 4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is ANLFNTDEMUTOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5/c1-23-16-9-15-13(7-14-11-25-20(22)18(14)19(15)21)8-17(16)24-10-12-5-3-2-4-6-12/h2-9,21H,10-11H2,1H3.
What are the key properties of 4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one?
4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 336.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 142720681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).