7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one

C20H17NO5 — CID 11348702

IUPAC7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one
SMILESCOc1cc(-c2c3c(cc4cc(OC)c(O)cc24)C(=O)NC3)ccc1O
InChIInChI=1S/C20H17NO5/c1-25-17-6-10(3-4-15(17)22)19-12-8-16(23)18(26-2)7-11(12)5-13-14(19)9-21-20(13)24/h3-8,22-23H,9H2,1-2H3,(H,21,24)
InChIKeyQVAJYPUWQBUWLN-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.18
Rot. Bonds3

About 7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one

7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one (PubChem CID 11348702) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one.

Molecular Properties

Compound Name7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one
PubChem CID11348702
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one
SMILESCOc1cc(-c2c3c(cc4cc(OC)c(O)cc24)C(=O)NC3)ccc1O
InChIInChI=1S/C20H17NO5/c1-25-17-6-10(3-4-15(17)22)19-12-8-16(23)18(26-2)7-11(12)5-13-14(19)9-21-20(13)24/h3-8,22-23H,9H2,1-2H3,(H,21,24)
InChIKeyQVAJYPUWQBUWLN-UHFFFAOYSA-N
XLogP3.18
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one?
The IUPAC name of 7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one (CID 11348702) is 7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one.
What is the SMILES notation for 7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one?
The canonical SMILES for 7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one is COc1cc(-c2c3c(cc4cc(OC)c(O)cc24)C(=O)NC3)ccc1O.
What is the InChIKey of 7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one?
The InChIKey is QVAJYPUWQBUWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-25-17-6-10(3-4-15(17)22)19-12-8-16(23)18(26-2)7-11(12)5-13-14(19)9-21-20(13)24/h3-8,22-23H,9H2,1-2H3,(H,21,24).
What are the key properties of 7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one?
7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one has a molecular weight of 351.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one is sourced from PubChem (CID 11348702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).