5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene

C17H17NO3 — CID 9354137

IUPAC5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene
SMILESC[C@H](Oc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H17NO3/c1-12(14-5-3-7-16(10-14)18(19)20)21-17-9-8-13-4-2-6-15(13)11-17/h3,5,7-12H,2,4,6H2,1H3/t12-/m0/s1
InChIKeyUWSPBTFYIGGCHA-LBPRGKRZSA-N
MW283.33 g/mol
LogP4.22
Rot. Bonds4

About 5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene

5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene (PubChem CID 9354137) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene
PubChem CID9354137
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene
SMILESC[C@H](Oc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H17NO3/c1-12(14-5-3-7-16(10-14)18(19)20)21-17-9-8-13-4-2-6-15(13)11-17/h3,5,7-12H,2,4,6H2,1H3/t12-/m0/s1
InChIKeyUWSPBTFYIGGCHA-LBPRGKRZSA-N
XLogP4.22
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[(1R)-1-(3-nitrophenyl)ethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8949679
1-methoxy-4-nitro-2-[(1S)-1-(3-nitrophenyl)ethoxy]benzene
CID 9356044
[(1S)-1-(3-nitrophenyl)ethyl] (2R)-2-(4-bromophenoxy)propanoate
CID 8942354
1-(3-nitrophenyl)ethyl sulfite
CID 174614635
2-[1-(3-nitrophenyl)ethoxy]benzonitrile
CID 18090993
ethane;1-nitro-3-propan-2-ylbenzene
CID 162531562
7-[(1S)-1-(3-nitrophenyl)ethoxy]-3-phenylchromen-4-one
CID 9353691
trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane
CID 10636842
1-(1-fluoroethyl)-3-nitrobenzene
CID 139245530
molecular hydrogen;1-nitro-3-propan-2-ylbenzene
CID 167689608
[(1R)-1-(3-nitrophenyl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8854837
[(1R)-1-(3-nitrophenyl)ethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 9060375

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene (CID 9354137) is 5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene is C[C@H](Oc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene?
The InChIKey is UWSPBTFYIGGCHA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(14-5-3-7-16(10-14)18(19)20)21-17-9-8-13-4-2-6-15(13)11-17/h3,5,7-12H,2,4,6H2,1H3/t12-/m0/s1.
What are the key properties of 5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene?
5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene has a molecular weight of 283.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(3-nitrophenyl)ethoxy]-2,3-dihydro-1H-indene is sourced from PubChem (CID 9354137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).