2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole

C19H18N2O4 — CID 91989033

IUPAC2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole
SMILESCCOc1cc(/C=C/c2cc3ccccc3[nH]2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H18N2O4/c1-3-25-19-11-14(17(21(22)23)12-18(19)24-2)8-9-15-10-13-6-4-5-7-16(13)20-15/h4-12,20H,3H2,1-2H3/b9-8+
InChIKeyOPNFBPWTSMGKAN-CMDGGOBGSA-N
MW338.36 g/mol
LogP4.65
Rot. Bonds6

About 2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole

2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole (PubChem CID 91989033) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole
PubChem CID91989033
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole
SMILESCCOc1cc(/C=C/c2cc3ccccc3[nH]2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H18N2O4/c1-3-25-19-11-14(17(21(22)23)12-18(19)24-2)8-9-15-10-13-6-4-5-7-16(13)20-15/h4-12,20H,3H2,1-2H3/b9-8+
InChIKeyOPNFBPWTSMGKAN-CMDGGOBGSA-N
XLogP4.65
TPSA77.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1,2-dimethoxy-4-nitro-5-[(E)-2-phenylethenyl]benzene
CID 101203170
1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene
CID 57346293
N-[(5-ethoxy-4-methoxy-2-nitrophenyl)methylideneamino]-4-fluoroaniline
CID 110840825
9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene
CID 101464411
5-methoxy-2-nitro-4-(4-oxobutoxy)benzaldehyde
CID 145400075
ethyl 5-[(E)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17398519
1-(1-benzofuran-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-en-1-one
CID 4797263
3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enal
CID 54315550
4-hexoxy-5-methoxy-2-nitrobenzaldehyde
CID 43311603
(E)-3-(4,5-dimethoxy-2-nitrophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 9448255
4-[5-(4-formyl-5-nitro-2-phenylmethoxyphenoxy)pentoxy]-5-methoxy-2-nitrobenzaldehyde
CID 90421178
(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
CID 43311689

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole?
The IUPAC name of 2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole (CID 91989033) is 2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole.
What is the SMILES notation for 2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole?
The canonical SMILES for 2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole is CCOc1cc(/C=C/c2cc3ccccc3[nH]2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole?
The InChIKey is OPNFBPWTSMGKAN-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-25-19-11-14(17(21(22)23)12-18(19)24-2)8-9-15-10-13-6-4-5-7-16(13)20-15/h4-12,20H,3H2,1-2H3/b9-8+.
What are the key properties of 2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole?
2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole has a molecular weight of 338.36 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole is sourced from PubChem (CID 91989033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).