2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol

C25H23NO3 — CID 134946460

IUPAC2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol
SMILESCC12c3ccccc3C(CCO)(c3ccccc31)C([N+](=O)[O-])C2c1ccccc1
InChIInChI=1S/C25H23NO3/c1-24-18-11-5-7-13-20(18)25(15-16-27,21-14-8-6-12-19(21)24)23(26(28)29)22(24)17-9-3-2-4-10-17/h2-14,22-23,27H,15-16H2,1H3
InChIKeyOIRDGXLGYHIFRB-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.42
Rot. Bonds4

About 2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol

2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol (PubChem CID 134946460) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol.

Molecular Properties

Compound Name2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol
PubChem CID134946460
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol
SMILESCC12c3ccccc3C(CCO)(c3ccccc31)C([N+](=O)[O-])C2c1ccccc1
InChIInChI=1S/C25H23NO3/c1-24-18-11-5-7-13-20(18)25(15-16-27,21-14-8-6-12-19(21)24)23(26(28)29)22(24)17-9-3-2-4-10-17/h2-14,22-23,27H,15-16H2,1H3
InChIKeyOIRDGXLGYHIFRB-UHFFFAOYSA-N
XLogP4.42
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
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'}

Analyze 2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol with MolForge

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Related Compounds

ethyl 8-(2-hydroxyethyl)-15-methyl-16-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 134946487
carbonic acid;ethane-1,2-diol;nitrobenzene
CID 175059732
tert-butyl (1S,2R,3S)-2-nitro-2'-oxo-3-phenylspiro[cyclopropane-1,3'-indole]-1'-carboxylate
CID 102292363
(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol
CID 125495959
(2,2,4-trimethyl-3-phenylcyclobutyl)benzene
CID 175871600
methyl (2S,3S,4S,5S)-3-(4-ethoxyphenyl)-2-methyl-4-nitro-5-phenylpyrrolidine-2-carboxylate
CID 169096890
1-(2-hydroxyethyl)-2-phenylcyclopropane-1-sulfonamide
CID 174760464
(6'S,7'R,8'S)-6'-(hydroxymethyl)-6'-nitro-7'-phenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydro-1H-pyrrolizine]-2-one
CID 135012461
(2S,3R,4S,5S,6R)-3-ethyl-2-hydroxy-5-nitro-4,6-diphenylpiperidine-1-carbaldehyde
CID 102598308
(1R,2R,3R)-2-(3-bromo-4-nitrophenyl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid
CID 90198643
(3S,3'S,4'S,5'S)-3'-(4-fluorophenyl)-4'-nitro-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 71591970
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol?
The IUPAC name of 2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol (CID 134946460) is 2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol.
What is the SMILES notation for 2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol?
The canonical SMILES for 2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol is CC12c3ccccc3C(CCO)(c3ccccc31)C([N+](=O)[O-])C2c1ccccc1.
What is the InChIKey of 2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol?
The InChIKey is OIRDGXLGYHIFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-24-18-11-5-7-13-20(18)25(15-16-27,21-14-8-6-12-19(21)24)23(26(28)29)22(24)17-9-3-2-4-10-17/h2-14,22-23,27H,15-16H2,1H3.
What are the key properties of 2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol?
2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol has a molecular weight of 385.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-15-nitro-16-phenyl-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanol is sourced from PubChem (CID 134946460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).