5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene

C16H14ClNO3 — CID 43350469

IUPAC5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene
SMILESO=[N+]([O-])c1cc(COc2ccc3c(c2)CCC3)ccc1Cl
InChIInChI=1S/C16H14ClNO3/c17-15-7-4-11(8-16(15)18(19)20)10-21-14-6-5-12-2-1-3-13(12)9-14/h4-9H,1-3,10H2
InChIKeyMWJFGVGFYSSJMT-UHFFFAOYSA-N
MW303.75 g/mol
LogP4.32
Rot. Bonds4

About 5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene

5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene (PubChem CID 43350469) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene
PubChem CID43350469
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene
SMILESO=[N+]([O-])c1cc(COc2ccc3c(c2)CCC3)ccc1Cl
InChIInChI=1S/C16H14ClNO3/c17-15-7-4-11(8-16(15)18(19)20)10-21-14-6-5-12-2-1-3-13(12)9-14/h4-9H,1-3,10H2
InChIKeyMWJFGVGFYSSJMT-UHFFFAOYSA-N
XLogP4.32
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.32
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

4-[(4-chloro-3-nitrophenyl)methoxy]benzonitrile
CID 43350403
N-[(4-chloro-3-nitrophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 115281341
4-[(4-chloro-3-nitrophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107169108
1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
CID 10661416
1-chloro-4-[(3-ethylphenoxy)methyl]-2-nitrobenzene
CID 43350457
1,2,4-trichloro-5-[(4-chloro-3-nitrophenyl)methoxy]benzene
CID 43350426
2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 43350369
1-chloro-4-(methylperoxymethyl)-2-nitrobenzene
CID 89234318
2-chloro-1-nitro-4-[(4-nitrophenyl)methoxy]benzene
CID 78977048
1-chloro-4-[(2,4-dibromophenoxy)methyl]-2-nitrobenzene
CID 64719307
[4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62246559
4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile
CID 61398915

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene (CID 43350469) is 5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene is O=[N+]([O-])c1cc(COc2ccc3c(c2)CCC3)ccc1Cl.
What is the InChIKey of 5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene?
The InChIKey is MWJFGVGFYSSJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-15-7-4-11(8-16(15)18(19)20)10-21-14-6-5-12-2-1-3-13(12)9-14/h4-9H,1-3,10H2.
What are the key properties of 5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene?
5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene has a molecular weight of 303.75 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-nitrophenyl)methoxy]-2,3-dihydro-1H-indene is sourced from PubChem (CID 43350469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).