ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate

C16H21NO4 — CID 115073347

IUPACethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate
SMILESCCOC(=O)C(O)c1cn(C(C)C)c2c(OC)cccc12
InChIInChI=1S/C16H21NO4/c1-5-21-16(19)15(18)12-9-17(10(2)3)14-11(12)7-6-8-13(14)20-4/h6-10,15,18H,5H2,1-4H3
InChIKeyDRICXEXCPFXGFV-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.83
Rot. Bonds5

About ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate

ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate (PubChem CID 115073347) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate
PubChem CID115073347
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nameethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate
SMILESCCOC(=O)C(O)c1cn(C(C)C)c2c(OC)cccc12
InChIInChI=1S/C16H21NO4/c1-5-21-16(19)15(18)12-9-17(10(2)3)14-11(12)7-6-8-13(14)20-4/h6-10,15,18H,5H2,1-4H3
InChIKeyDRICXEXCPFXGFV-UHFFFAOYSA-N
XLogP2.83
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate
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ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
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ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate
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ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62397786
2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
CID 115073168
ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
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ethyl 2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]-2-hydroxyacetate
CID 117461694
ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]butanoate
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CID 10198230

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate (CID 115073347) is ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate is CCOC(=O)C(O)c1cn(C(C)C)c2c(OC)cccc12.
What is the InChIKey of ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate?
The InChIKey is DRICXEXCPFXGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-5-21-16(19)15(18)12-9-17(10(2)3)14-11(12)7-6-8-13(14)20-4/h6-10,15,18H,5H2,1-4H3.
What are the key properties of ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate?
ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate has a molecular weight of 291.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate is sourced from PubChem (CID 115073347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).