(2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene

C19H21NO5 — CID 178068546

IUPAC(2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOCOc1ccc2c(c1)CC[C@@H](c1ccc(OC)cc1[N+](=O)[O-])C2
InChIInChI=1S/C19H21NO5/c1-23-12-25-17-6-5-13-9-15(4-3-14(13)10-17)18-8-7-16(24-2)11-19(18)20(21)22/h5-8,10-11,15H,3-4,9,12H2,1-2H3/t15-/m1/s1
InChIKeyHVYTZUBABISABW-OAHLLOKOSA-N
MW343.38 g/mol
LogP3.86
Rot. Bonds6

About (2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene

(2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 178068546) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID178068546
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOCOc1ccc2c(c1)CC[C@@H](c1ccc(OC)cc1[N+](=O)[O-])C2
InChIInChI=1S/C19H21NO5/c1-23-12-25-17-6-5-13-9-15(4-3-14(13)10-17)18-8-7-16(24-2)11-19(18)20(21)22/h5-8,10-11,15H,3-4,9,12H2,1-2H3/t15-/m1/s1
InChIKeyHVYTZUBABISABW-OAHLLOKOSA-N
XLogP3.86
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene (CID 178068546) is (2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene is COCOc1ccc2c(c1)CC[C@@H](c1ccc(OC)cc1[N+](=O)[O-])C2.
What is the InChIKey of (2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is HVYTZUBABISABW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-12-25-17-6-5-13-9-15(4-3-14(13)10-17)18-8-7-16(24-2)11-19(18)20(21)22/h5-8,10-11,15H,3-4,9,12H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene?
(2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 343.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(methoxymethoxy)-2-(4-methoxy-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 178068546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).