3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene

C16H12ClNO2 — CID 46868110

IUPAC3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene
SMILESCC1=C(c2ccc(Cl)cc2)c2cc([N+](=O)[O-])ccc2C1
InChIInChI=1S/C16H12ClNO2/c1-10-8-12-4-7-14(18(19)20)9-15(12)16(10)11-2-5-13(17)6-3-11/h2-7,9H,8H2,1H3
InChIKeyVHIPIPZQNVRRKZ-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.63
Rot. Bonds2

About 3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene

3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene (PubChem CID 46868110) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene
PubChem CID46868110
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene
SMILESCC1=C(c2ccc(Cl)cc2)c2cc([N+](=O)[O-])ccc2C1
InChIInChI=1S/C16H12ClNO2/c1-10-8-12-4-7-14(18(19)20)9-15(12)16(10)11-2-5-13(17)6-3-11/h2-7,9H,8H2,1H3
InChIKeyVHIPIPZQNVRRKZ-UHFFFAOYSA-N
XLogP4.63
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
2,6-dinitro-9H-fluorene
CID 3582885
1-chloro-4-nitrobenzene;ethane
CID 90737802
2-(4-chlorophenyl)-4-nitrobenzoic acid
CID 53225851
CID 70381437
CID 70381437
3-(4-chlorophenyl)-4-(4-nitrophenyl)furan-2,5-dione
CID 86081138
2-(4-chlorophenyl)-5-nitrobenzoic acid
CID 68803337
methyl 2-(4-chlorophenyl)-5-nitrobenzoate
CID 69324152
4-(4-chlorophenyl)-2-nitroaniline
CID 10776983
2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid
CID 11608998
1-chloro-2-(4-methylphenyl)-4-nitrobenzene;formamide
CID 144972005
(3S)-3-methyl-7-nitro-3,4-dihydro-2H-isoquinolin-1-one
CID 10798306

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene (CID 46868110) is 3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene is CC1=C(c2ccc(Cl)cc2)c2cc([N+](=O)[O-])ccc2C1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene?
The InChIKey is VHIPIPZQNVRRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-10-8-12-4-7-14(18(19)20)9-15(12)16(10)11-2-5-13(17)6-3-11/h2-7,9H,8H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene?
3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene has a molecular weight of 285.73 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-5-nitro-1H-indene is sourced from PubChem (CID 46868110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).