1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole

C17H16FNO2 — CID 102879188

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole
SMILESCOc1ccc(Cn2ccc3c(OC)cccc32)c(F)c1
InChIInChI=1S/C17H16FNO2/c1-20-13-7-6-12(15(18)10-13)11-19-9-8-14-16(19)4-3-5-17(14)21-2/h3-10H,11H2,1-2H3
InChIKeyKZUGHWYINGMHNF-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.85
Rot. Bonds4

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole

1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole (PubChem CID 102879188) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole
PubChem CID102879188
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole
SMILESCOc1ccc(Cn2ccc3c(OC)cccc32)c(F)c1
InChIInChI=1S/C17H16FNO2/c1-20-13-7-6-12(15(18)10-13)11-19-9-8-14-16(19)4-3-5-17(14)21-2/h3-10H,11H2,1-2H3
InChIKeyKZUGHWYINGMHNF-UHFFFAOYSA-N
XLogP3.85
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859
1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole
CID 82792935
4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline
CID 83163642
4-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]indole
CID 116625976
4-chloro-1-[(2,4-difluorophenyl)methyl]indole
CID 116623841
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943
1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde
CID 102910663
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
3-[(4-methoxyindol-1-yl)methyl]phenol
CID 83173528
1-[(3-bromo-4-methoxyphenyl)methyl]-4-methoxyindole
CID 83165932
2-[(4-methoxyindol-1-yl)methyl]benzamide
CID 83165956

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole (CID 102879188) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole is COc1ccc(Cn2ccc3c(OC)cccc32)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole?
The InChIKey is KZUGHWYINGMHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-20-13-7-6-12(15(18)10-13)11-19-9-8-14-16(19)4-3-5-17(14)21-2/h3-10H,11H2,1-2H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole?
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole has a molecular weight of 285.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole is sourced from PubChem (CID 102879188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).