1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole

C16H13ClFNO — CID 63852001

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
SMILESCOc1ccc(Cl)cc1Cn1ccc2cc(F)ccc21
InChIInChI=1S/C16H13ClFNO/c1-20-16-5-2-13(17)8-12(16)10-19-7-6-11-9-14(18)3-4-15(11)19/h2-9H,10H2,1H3
InChIKeyBDLVLCSJERHVHJ-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.49
Rot. Bonds3

About 1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole

1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole (PubChem CID 63852001) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
PubChem CID63852001
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
SMILESCOc1ccc(Cl)cc1Cn1ccc2cc(F)ccc21
InChIInChI=1S/C16H13ClFNO/c1-20-16-5-2-13(17)8-12(16)10-19-7-6-11-9-14(18)3-4-15(11)19/h2-9H,10H2,1H3
InChIKeyBDLVLCSJERHVHJ-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

5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole
CID 104794968
6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole
CID 116620555
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole
CID 102620300
5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline
CID 64768625
[1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol
CID 66859436
[4-fluoro-3-[(5-fluoroindol-1-yl)methyl]phenyl]methanamine
CID 63850276
5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620287
[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol
CID 102912443
1-[(2-bromo-4-fluorophenyl)methyl]-5-fluoroindole
CID 63851490
5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623355
1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile
CID 107920285

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole (CID 63852001) is 1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole is COc1ccc(Cl)cc1Cn1ccc2cc(F)ccc21.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole?
The InChIKey is BDLVLCSJERHVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-20-16-5-2-13(17)8-12(16)10-19-7-6-11-9-14(18)3-4-15(11)19/h2-9H,10H2,1H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole?
1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole 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-methoxyphenyl)methyl]-5-fluoroindole is sourced from PubChem (CID 63852001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).