2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole

C17H14N2O3 — CID 70418150

IUPAC2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole
SMILESC=Cc1cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2[nH]1
InChIInChI=1S/C17H14N2O3/c1-2-13-10-14-15(19(20)21)8-9-16(17(14)18-13)22-11-12-6-4-3-5-7-12/h2-10,18H,1,11H2
InChIKeyOQPGWJFDYQJTNX-UHFFFAOYSA-N
MW294.31 g/mol
LogP4.30
Rot. Bonds5

About 2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole

2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole (PubChem CID 70418150) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole
PubChem CID70418150
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole
SMILESC=Cc1cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2[nH]1
InChIInChI=1S/C17H14N2O3/c1-2-13-10-14-15(19(20)21)8-9-16(17(14)18-13)22-11-12-6-4-3-5-7-12/h2-10,18H,1,11H2
InChIKeyOQPGWJFDYQJTNX-UHFFFAOYSA-N
XLogP4.30
TPSA68.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 54.30
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'}

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Related Compounds

4-bromo-2-nitro-1-phenylmethoxybenzene
CID 11278242
(3-nitro-4-phenylmethoxyphenyl)methanamine
CID 43319706
bis(3-nitro-4-phenylmethoxyphenyl)methanone
CID 21234669
N-[(3-nitro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
CID 69126091
3-nitro-4-phenylmethoxybenzenediazonium
CID 46187995
6-ethenyl-2-nitro-3-phenylmethoxypyridine
CID 69479018
2-chloro-1-(3-nitro-4-phenylmethoxyphenyl)ethanol
CID 23434718
(Z)-3-(3-nitro-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 82152609
3-nitro-6-phenylmethoxy-1H-pyridin-2-one
CID 167456501
1-nitro-2-phenylmethoxy-4-(trifluoromethyl)benzene
CID 15054011
4-chloro-2-nitro-1-phenylmethoxybenzene;5-chloro-2-phenylmethoxyaniline
CID 157392009
(2R)-2-bromo-2-(3-nitro-4-phenylmethoxyphenyl)ethanol
CID 70144618

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole?
The IUPAC name of 2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole (CID 70418150) is 2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole.
What is the SMILES notation for 2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole?
The canonical SMILES for 2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole is C=Cc1cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2[nH]1.
What is the InChIKey of 2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole?
The InChIKey is OQPGWJFDYQJTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-13-10-14-15(19(20)21)8-9-16(17(14)18-13)22-11-12-6-4-3-5-7-12/h2-10,18H,1,11H2.
What are the key properties of 2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole?
2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole has a molecular weight of 294.31 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-nitro-7-phenylmethoxy-1H-indole is sourced from PubChem (CID 70418150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).