5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium

C20H15N2O4+ — CID 10783760

IUPAC5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium
SMILESCOc1cccc2c1C(=O)C1=C([N+]#N)c3cc(C)cc(OC)c3C1=C2O
InChIInChI=1S/C20H14N2O4/c1-9-7-11-14(13(8-9)26-3)16-17(18(11)22-21)20(24)15-10(19(16)23)5-4-6-12(15)25-2/h4-8H,1-3H3/p+1
InChIKeyIVUAJUULCCNHHL-UHFFFAOYSA-O
MW347.35 g/mol
LogP4.21
Rot. Bonds2

About 5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium

5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium (PubChem CID 10783760) has the molecular formula C20H15N2O4+ and a molecular weight of 347.35 g/mol. Its IUPAC name is 5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium.

Molecular Properties

Compound Name5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium
PubChem CID10783760
Molecular FormulaC20H15N2O4+
Molecular Weight347.35 g/mol
Exact Mass347.10
IUPAC Name5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium
SMILESCOc1cccc2c1C(=O)C1=C([N+]#N)c3cc(C)cc(OC)c3C1=C2O
InChIInChI=1S/C20H14N2O4/c1-9-7-11-14(13(8-9)26-3)16-17(18(11)22-21)20(24)15-10(19(16)23)5-4-6-12(15)25-2/h4-8H,1-3H3/p+1
InChIKeyIVUAJUULCCNHHL-UHFFFAOYSA-O
XLogP4.21
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione
CID 10066319
5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione
CID 633617
(1R,2R,3R,4S)-1,2,3,4,5-pentahydroxy-9-(methoxymethoxy)-2-methyl-10-oxo-3,4-dihydro-1H-benzo[b]fluorene-11-diazonium
CID 134839307
4-hydroxy-8-methoxy-3-(3-methylbut-1-enyl)naphthalene-1,2-dione
CID 71443358
1,5-dimethoxyfluoren-9-one
CID 19594782
methyl (2S,3S)-2-[[3-[2-(hydroxymethyl)-6-methoxy-4-methylphenyl]-8-methoxy-1,4-dioxonaphthalen-2-yl]amino]-3-methylpentanoate
CID 101499670
2-(2-methoxy-6-methylphenyl)-4-methylphenol
CID 165349659
5-methoxy-9,10-dioxoanthracene-2-carboxamide
CID 169240451
1,3,8-trimethoxy-6-methylanthracene-9,10-dione
CID 7330510
7-methoxy-2-methyl-3-phenylinden-1-one
CID 101034748
3-methoxy-2-(2-methylphenyl)phenol
CID 122691974
3-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)-4-methylphenyl]-4-hydroxy-8-(methoxymethoxy)naphthalene-1,2-dione
CID 10791289

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium?
The IUPAC name of 5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium (CID 10783760) is 5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium.
What is the SMILES notation for 5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium?
The canonical SMILES for 5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium is COc1cccc2c1C(=O)C1=C([N+]#N)c3cc(C)cc(OC)c3C1=C2O.
What is the InChIKey of 5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium?
The InChIKey is IVUAJUULCCNHHL-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H14N2O4/c1-9-7-11-14(13(8-9)26-3)16-17(18(11)22-21)20(24)15-10(19(16)23)5-4-6-12(15)25-2/h4-8H,1-3H3/p+1.
What are the key properties of 5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium?
5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium has a molecular weight of 347.35 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,9-dimethoxy-2-methyl-10-oxobenzo[b]fluorene-11-diazonium is sourced from PubChem (CID 10783760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).