3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole

C19H20FNO4 — CID 71575531

IUPAC3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole
SMILESCOc1ccc(Cc2c[nH]c3c(OC)c(OC)c(OC)cc23)cc1F
InChIInChI=1S/C19H20FNO4/c1-22-15-6-5-11(8-14(15)20)7-12-10-21-17-13(12)9-16(23-2)18(24-3)19(17)25-4/h5-6,8-10,21H,7H2,1-4H3
InChIKeyFASLRVVATFFXOX-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.93
Rot. Bonds6

About 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole

3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole (PubChem CID 71575531) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole
PubChem CID71575531
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole
SMILESCOc1ccc(Cc2c[nH]c3c(OC)c(OC)c(OC)cc23)cc1F
InChIInChI=1S/C19H20FNO4/c1-22-15-6-5-11(8-14(15)20)7-12-10-21-17-13(12)9-16(23-2)18(24-3)19(17)25-4/h5-6,8-10,21H,7H2,1-4H3
InChIKeyFASLRVVATFFXOX-UHFFFAOYSA-N
XLogP3.93
TPSA52.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 20517
CID 20517
CID 84431
CID 84431
CID 54768148
CID 54768148
CID 54768149
CID 54768149
CID 54768182
CID 54768182
CID 10156424
CID 10156424
CID 10202218
CID 10202218
CID 10246680
CID 10246680
CID 16738445
CID 16738445
CID 71575424
CID 71575424
CID 71575426
CID 71575426
CID 71575532
CID 71575532

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole?
The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole (CID 71575531) is 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole?
The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole is COc1ccc(Cc2c[nH]c3c(OC)c(OC)c(OC)cc23)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole?
The InChIKey is FASLRVVATFFXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-22-15-6-5-11(8-14(15)20)7-12-10-21-17-13(12)9-16(23-2)18(24-3)19(17)25-4/h5-6,8-10,21H,7H2,1-4H3.
What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole?
3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole has a molecular weight of 345.37 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7-trimethoxy-1H-indole is sourced from PubChem (CID 71575531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).