ethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate

C28H35NO7 — CID 174244631

IUPACethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate
SMILESCCCOCCOCCOCCn1c(C(=O)OCC)cc2c(C=O)ccc(OCc3ccccc3)c21
InChIInChI=1S/C28H35NO7/c1-3-13-32-15-17-34-18-16-33-14-12-29-25(28(31)35-4-2)19-24-23(20-30)10-11-26(27(24)29)36-21-22-8-6-5-7-9-22/h5-11,19-20H,3-4,12-18,21H2,1-2H3
InChIKeyGIKGLFWCBPXGKX-UHFFFAOYSA-N
MW497.59 g/mol
LogP4.67
Rot. Bonds17

About ethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate

ethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate (PubChem CID 174244631) has the molecular formula C28H35NO7 and a molecular weight of 497.59 g/mol. Its IUPAC name is ethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate
PubChem CID174244631
Molecular FormulaC28H35NO7
Molecular Weight497.59 g/mol
Exact Mass497.24
IUPAC Nameethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate
SMILESCCCOCCOCCOCCn1c(C(=O)OCC)cc2c(C=O)ccc(OCc3ccccc3)c21
InChIInChI=1S/C28H35NO7/c1-3-13-32-15-17-34-18-16-33-14-12-29-25(28(31)35-4-2)19-24-23(20-30)10-11-26(27(24)29)36-21-22-8-6-5-7-9-22/h5-11,19-20H,3-4,12-18,21H2,1-2H3
InChIKeyGIKGLFWCBPXGKX-UHFFFAOYSA-N
XLogP4.67
TPSA85.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate
CID 10644615
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157
ethyl 1,4-dimethyl-7-(pyridin-2-ylmethoxy)indole-2-carboxylate
CID 21194412
2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoic acid;3-methyl-4-phenylmethoxybenzaldehyde
CID 173269771
ethyl 1-methyl-3-(2-phenylmethoxyphenyl)pyrazole-5-carboxylate
CID 169144581
methyl 4-formyl-7-phenylmethoxy-1-benzothiophene-2-carboxylate
CID 174245692
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
CID 59839615
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
ethyl (E)-3-(2-phenylmethoxy-4-propoxyphenyl)prop-2-enoate
CID 86618807
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365

Frequently Asked Questions

What is the IUPAC name of ethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate?
The IUPAC name of ethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate (CID 174244631) is ethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate.
What is the SMILES notation for ethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate?
The canonical SMILES for ethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate is CCCOCCOCCOCCn1c(C(=O)OCC)cc2c(C=O)ccc(OCc3ccccc3)c21.
What is the InChIKey of ethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate?
The InChIKey is GIKGLFWCBPXGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO7/c1-3-13-32-15-17-34-18-16-33-14-12-29-25(28(31)35-4-2)19-24-23(20-30)10-11-26(27(24)29)36-21-22-8-6-5-7-9-22/h5-11,19-20H,3-4,12-18,21H2,1-2H3.
What are the key properties of ethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate?
ethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate has a molecular weight of 497.59 g/mol, XLogP of 4.67, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-formyl-7-phenylmethoxy-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]indole-2-carboxylate is sourced from PubChem (CID 174244631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).