5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene

C19H21NO6 — CID 10150215

IUPAC5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene
SMILESCOc1ccc(C2CCc3cc(OC)c(OC)c(OC)c32)cc1[N+](=O)[O-]
InChIInChI=1S/C19H21NO6/c1-23-15-8-6-11(9-14(15)20(21)22)13-7-5-12-10-16(24-2)18(25-3)19(26-4)17(12)13/h6,8-10,13H,5,7H2,1-4H3
InChIKeyFISYEIMXRJURBY-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.71
Rot. Bonds6

About 5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene

5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene (PubChem CID 10150215) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene
PubChem CID10150215
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene
SMILESCOc1ccc(C2CCc3cc(OC)c(OC)c(OC)c32)cc1[N+](=O)[O-]
InChIInChI=1S/C19H21NO6/c1-23-15-8-6-11(9-14(15)20(21)22)13-7-5-12-10-16(24-2)18(25-3)19(26-4)17(12)13/h6,8-10,13H,5,7H2,1-4H3
InChIKeyFISYEIMXRJURBY-UHFFFAOYSA-N
XLogP3.71
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene
CID 169224101
3-(4-methoxy-3-nitrophenyl)azetidine;hydrochloride
CID 131879443
(2R)-6,7-dimethoxy-2-(4-nitrophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 99770218
(4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one
CID 171252695
(2R)-2-(4-methoxy-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195879
5-acetyl-4-(4-methoxy-3-nitrophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 50888139
4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene
CID 11735902
4-(4-methoxy-3-nitrophenyl)oxane-2,6-dione
CID 121001788
(2S)-2-(4-methoxy-3-nitrophenyl)piperazine;hydrochloride
CID 171193664
(2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1204071
1,1-dibromo-5,6,7-trimethoxy-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene
CID 11486151
6,7-dimethoxy-8-nitro-1,2,3,4-tetrahydroisoquinolin-1-ol
CID 71428159

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene?
The IUPAC name of 5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene (CID 10150215) is 5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene is COc1ccc(C2CCc3cc(OC)c(OC)c(OC)c32)cc1[N+](=O)[O-].
What is the InChIKey of 5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene?
The InChIKey is FISYEIMXRJURBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-23-15-8-6-11(9-14(15)20(21)22)13-7-5-12-10-16(24-2)18(25-3)19(26-4)17(12)13/h6,8-10,13H,5,7H2,1-4H3.
What are the key properties of 5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene?
5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene has a molecular weight of 359.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-1-(4-methoxy-3-nitrophenyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 10150215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).