(3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate

C19H18FNO3 — CID 24685867

IUPAC(3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate
SMILESCOc1ccc(COC(=O)CCc2c[nH]c3ccccc23)cc1F
InChIInChI=1S/C19H18FNO3/c1-23-18-8-6-13(10-16(18)20)12-24-19(22)9-7-14-11-21-17-5-3-2-4-15(14)17/h2-6,8,10-11,21H,7,9,12H2,1H3
InChIKeyMTDFVNIMJWLPDV-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.99
Rot. Bonds6

About (3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate

(3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate (PubChem CID 24685867) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate
PubChem CID24685867
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate
SMILESCOc1ccc(COC(=O)CCc2c[nH]c3ccccc23)cc1F
InChIInChI=1S/C19H18FNO3/c1-23-18-8-6-13(10-16(18)20)12-24-19(22)9-7-14-11-21-17-5-3-2-4-15(14)17/h2-6,8,10-11,21H,7,9,12H2,1H3
InChIKeyMTDFVNIMJWLPDV-UHFFFAOYSA-N
XLogP3.99
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate (CID 24685867) is (3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate is COc1ccc(COC(=O)CCc2c[nH]c3ccccc23)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate?
The InChIKey is MTDFVNIMJWLPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-23-18-8-6-13(10-16(18)20)12-24-19(22)9-7-14-11-21-17-5-3-2-4-15(14)17/h2-6,8,10-11,21H,7,9,12H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate?
(3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate has a molecular weight of 327.36 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 24685867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).