methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate

C15H18ClNO3 — CID 134573234

IUPACmethyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate
SMILESCOC(=O)n1c(C)cc2c(Cl)c(OC(C)(C)C)ccc21
InChIInChI=1S/C15H18ClNO3/c1-9-8-10-11(17(9)14(18)19-5)6-7-12(13(10)16)20-15(2,3)4/h6-8H,1-5H3
InChIKeyVSOQLUWZJPLRQQ-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.39
Rot. Bonds1

About methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate

methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate (PubChem CID 134573234) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate
PubChem CID134573234
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Namemethyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate
SMILESCOC(=O)n1c(C)cc2c(Cl)c(OC(C)(C)C)ccc21
InChIInChI=1S/C15H18ClNO3/c1-9-8-10-11(17(9)14(18)19-5)6-7-12(13(10)16)20-15(2,3)4/h6-8H,1-5H3
InChIKeyVSOQLUWZJPLRQQ-UHFFFAOYSA-N
XLogP4.39
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methoxy-2,7-dimethylindole-1-carboxylate
CID 143138095
methyl 4-chloro-5-methoxy-1-methylindole-2-carboxylate
CID 130408728
methyl 2-methyl-5-nitroindole-1-carboxylate
CID 174684425
methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate
CID 73013581
1-(5-ethoxy-2,4-dimethylindol-1-yl)ethanone
CID 122520582
methyl 6-methylpyrido[3,4-b]indole-9-carboxylate
CID 161038199
acetic acid;tert-butyl 5-hydroxy-2-methylindole-1-carboxylate
CID 18914660
methyl 2-amino-5-chlorobenzimidazole-1-carboxylate
CID 10353629
methyl 6-chloro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate
CID 657975
tert-butyl 3-bromo-6-methylcarbazole-9-carboxylate
CID 21072274
3-(5-chloro-2-methoxyanilino)-2,2-dimethylpropanoic acid
CID 79630107
methyl 2-[5-amino-2-methyl-4-(trifluoromethyl)indol-1-yl]-2-methylpropanoate
CID 89282320

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate?
The IUPAC name of methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate (CID 134573234) is methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate?
The canonical SMILES for methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate is COC(=O)n1c(C)cc2c(Cl)c(OC(C)(C)C)ccc21.
What is the InChIKey of methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate?
The InChIKey is VSOQLUWZJPLRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-9-8-10-11(17(9)14(18)19-5)6-7-12(13(10)16)20-15(2,3)4/h6-8H,1-5H3.
What are the key properties of methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate?
methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate has a molecular weight of 295.77 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate is sourced from PubChem (CID 134573234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).