propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate

C14H16FNO3 — CID 122520618

IUPACpropyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate
SMILESCCCOC(=O)n1c(C)c(F)c2cc(OC)ccc21
InChIInChI=1S/C14H16FNO3/c1-4-7-19-14(17)16-9(2)13(15)11-8-10(18-3)5-6-12(11)16/h5-6,8H,4,7H2,1-3H3
InChIKeySRKIFUKBFYQGNZ-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.49
Rot. Bonds3

About propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate

propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate (PubChem CID 122520618) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate.

Molecular Properties

Compound Namepropyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate
PubChem CID122520618
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Namepropyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate
SMILESCCCOC(=O)n1c(C)c(F)c2cc(OC)ccc21
InChIInChI=1S/C14H16FNO3/c1-4-7-19-14(17)16-9(2)13(15)11-8-10(18-3)5-6-12(11)16/h5-6,8H,4,7H2,1-3H3
InChIKeySRKIFUKBFYQGNZ-UHFFFAOYSA-N
XLogP3.49
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate
CID 102166837
3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid
CID 83853725
1-(3-methoxycarbazol-9-yl)pentan-1-one
CID 153297253
2-[1-(4-butoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11395329
ethyl 5-methoxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
CID 99990777
methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate
CID 131851971
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
ethyl 5-methoxy-2-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 56690107
2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82248163
2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide
CID 70239958
ethyl 5-methoxy-2-methyl-1-methylsulfonylindole-3-carboxylate
CID 23589053
propyl 4,7-difluoro-5-methoxyindole-1-carboxylate
CID 134576019

Frequently Asked Questions

What is the IUPAC name of propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate?
The IUPAC name of propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate (CID 122520618) is propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate.
What is the SMILES notation for propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate?
The canonical SMILES for propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate is CCCOC(=O)n1c(C)c(F)c2cc(OC)ccc21.
What is the InChIKey of propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate?
The InChIKey is SRKIFUKBFYQGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-4-7-19-14(17)16-9(2)13(15)11-8-10(18-3)5-6-12(11)16/h5-6,8H,4,7H2,1-3H3.
What are the key properties of propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate?
propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate has a molecular weight of 265.28 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate is sourced from PubChem (CID 122520618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).