1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole

C16H13ClFNO — CID 103050113

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
SMILESCOc1cccc2c1ccn2Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H13ClFNO/c1-20-16-4-2-3-15-13(16)7-8-19(15)10-11-9-12(17)5-6-14(11)18/h2-9H,10H2,1H3
InChIKeyKBNWPAZROQLKOE-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.49
Rot. Bonds3

About 1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole

1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole (PubChem CID 103050113) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
PubChem CID103050113
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
SMILESCOc1cccc2c1ccn2Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H13ClFNO/c1-20-16-4-2-3-15-13(16)7-8-19(15)10-11-9-12(17)5-6-14(11)18/h2-9H,10H2,1H3
InChIKeyKBNWPAZROQLKOE-UHFFFAOYSA-N
XLogP4.49
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole
CID 102879188
4-chloro-1-[(2,5-difluorophenyl)methyl]indole
CID 116623695
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
3-chloro-N-[2-(4-methoxyindol-1-yl)ethyl]aniline
CID 83164894
1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
CID 63852001
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943
3-[(4-methoxyindol-1-yl)methyl]phenol
CID 83173528
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
[1-[(4-chloro-2-fluorophenyl)methyl]indol-4-yl]methanamine
CID 114851516
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-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole (CID 103050113) is 1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole is COc1cccc2c1ccn2Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole?
The InChIKey is KBNWPAZROQLKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-20-16-4-2-3-15-13(16)7-8-19(15)10-11-9-12(17)5-6-14(11)18/h2-9H,10H2,1H3.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole?
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole has a molecular weight of 289.74 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole is sourced from PubChem (CID 103050113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).