methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate

C14H17NO4 — CID 156634395

IUPACmethyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)cc(OC(C)C)cc2[nH]1
InChIInChI=1S/C14H17NO4/c1-8(2)19-9-5-11-10(13(6-9)17-3)7-12(15-11)14(16)18-4/h5-8,15H,1-4H3
InChIKeyHGVSZSPSXGVPTD-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.75
Rot. Bonds4

About methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate

methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate (PubChem CID 156634395) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate
PubChem CID156634395
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)cc(OC(C)C)cc2[nH]1
InChIInChI=1S/C14H17NO4/c1-8(2)19-9-5-11-10(13(6-9)17-3)7-12(15-11)14(16)18-4/h5-8,15H,1-4H3
InChIKeyHGVSZSPSXGVPTD-UHFFFAOYSA-N
XLogP2.75
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-acetyloxy-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634324
sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate
CID 67227531
2-piperidin-1-ylethyl 4,6-di(propan-2-yloxy)-1H-indole-2-carboxylate
CID 156634349
methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate
CID 141315476
6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine
CID 175135260
methyl 6-methoxy-4-[1-(oxiran-2-yl)ethyl]-1H-indole-2-carboxylate
CID 87745494
4-(dimethylamino)-6-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 172696431
methyl 4-[(4,6-dimethoxy-2-methoxycarbonyl-1H-indol-7-yl)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate
CID 122232254
methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate
CID 135358052
methyl 4-bromo-6,7-dimethoxy-1H-indole-2-carboxylate
CID 7144594
methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate
CID 18470661
dimethyl 7-methoxy-4-methyl-1H-indole-2,5-dicarboxylate
CID 10660138

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate (CID 156634395) is methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate is COC(=O)c1cc2c(OC)cc(OC(C)C)cc2[nH]1.
What is the InChIKey of methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate?
The InChIKey is HGVSZSPSXGVPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8(2)19-9-5-11-10(13(6-9)17-3)7-12(15-11)14(16)18-4/h5-8,15H,1-4H3.
What are the key properties of methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate?
methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-6-propan-2-yloxy-1H-indole-2-carboxylate is sourced from PubChem (CID 156634395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).