methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate

C17H14FNO3 — CID 178035422

IUPACmethyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(-c2cc(F)cc(OC)c2)c2ccccc12
InChIInChI=1S/C17H14FNO3/c1-21-13-8-11(18)7-12(9-13)19-10-15(17(20)22-2)14-5-3-4-6-16(14)19/h3-10H,1-2H3
InChIKeyMMXQFPPWYFGKME-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.56
Rot. Bonds3

About methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate

methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate (PubChem CID 178035422) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate
PubChem CID178035422
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Namemethyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(-c2cc(F)cc(OC)c2)c2ccccc12
InChIInChI=1S/C17H14FNO3/c1-21-13-8-11(18)7-12(9-13)19-10-15(17(20)22-2)14-5-3-4-6-16(14)19/h3-10H,1-2H3
InChIKeyMMXQFPPWYFGKME-UHFFFAOYSA-N
XLogP3.56
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 24895075
methyl 1-(2-methoxy-4-pyridinyl)indole-3-carboxylate
CID 178035448
methyl 1-(3-ethoxy-5-fluorophenyl)indole-4-carboxylate
CID 178035470
methyl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
CID 86708891
methyl 1-quinolin-6-ylindole-3-carboxylate
CID 68969653
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate
CID 133167372
methyl 1-[2-(4-methoxyphenyl)ethynyl]indole-3-carboxylate
CID 24776972
methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate
CID 2202954
methyl 1-(4-fluoro-3-methoxyphenyl)indole-4-carboxylate
CID 178035446
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
methyl 1-(3,4-dimethoxybenzoyl)indole-3-carboxylate
CID 703705

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate (CID 178035422) is methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate is COC(=O)c1cn(-c2cc(F)cc(OC)c2)c2ccccc12.
What is the InChIKey of methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate?
The InChIKey is MMXQFPPWYFGKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-21-13-8-11(18)7-12(9-13)19-10-15(17(20)22-2)14-5-3-4-6-16(14)19/h3-10H,1-2H3.
What are the key properties of methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate?
methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate has a molecular weight of 299.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-fluoro-5-methoxyphenyl)indole-3-carboxylate is sourced from PubChem (CID 178035422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).