7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole

C16H13ClFNO2 — CID 59627926

IUPAC7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole
SMILESCOc1ccc(-n2ccc3c(OC)ccc(Cl)c32)cc1F
InChIInChI=1S/C16H13ClFNO2/c1-20-14-6-4-12(17)16-11(14)7-8-19(16)10-3-5-15(21-2)13(18)9-10/h3-9H,1-2H3
InChIKeyJEMRIHIJTGADPH-UHFFFAOYSA-N
MW305.74 g/mol
LogP4.44
Rot. Bonds3

About 7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole

7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole (PubChem CID 59627926) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is 7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole.

Molecular Properties

Compound Name7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole
PubChem CID59627926
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole
SMILESCOc1ccc(-n2ccc3c(OC)ccc(Cl)c32)cc1F
InChIInChI=1S/C16H13ClFNO2/c1-20-14-6-4-12(17)16-11(14)7-8-19(16)10-3-5-15(21-2)13(18)9-10/h3-9H,1-2H3
InChIKeyJEMRIHIJTGADPH-UHFFFAOYSA-N
XLogP4.44
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Chloro-benzyl)-[2-(3,7-dichloro-1H-indol-4-yloxy)-ethyl]-amine
CID 9799480
Benzyl-[2-(7-chloro-1H-indol-4-yloxy)-ethyl]-amine
CID 9839319
Benzyl-[2-(3,7-dichloro-1H-indol-4-yloxy)-ethyl]-amine
CID 9862532
[2-(3,7-Dichloro-1H-indol-4-yloxy)-ethyl]-(4-fluoro-benzyl)-amine
CID 9884884
{2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-dimethyl-amine
CID 10592734
4-Methoxy-1-methylindole
CID 595238
{3-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-propyl}-dimethyl-amine
CID 10641353
(Z)-4-[1-[(3-chloro-2-fluorophenyl)methyl]-4-methoxyindol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 46918755
(Z)-4-[1-[(3-chlorophenyl)methyl]-4-methoxyindol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 49863582
(Z)-4-[1-[(2-chloro-3-fluorophenyl)methyl]-4-methoxyindol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 49863584
(Z)-4-[1-[(2-chloro-4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 49863585
(Z)-4-[1-[(2-chloro-5-fluorophenyl)methyl]-4-methoxyindol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 49863586

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole?
The IUPAC name of 7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole (CID 59627926) is 7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole.
What is the SMILES notation for 7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole?
The canonical SMILES for 7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole is COc1ccc(-n2ccc3c(OC)ccc(Cl)c32)cc1F.
What is the InChIKey of 7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole?
The InChIKey is JEMRIHIJTGADPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c1-20-14-6-4-12(17)16-11(14)7-8-19(16)10-3-5-15(21-2)13(18)9-10/h3-9H,1-2H3.
What are the key properties of 7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole?
7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole has a molecular weight of 305.74 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole is sourced from PubChem (CID 59627926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).