[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol

C16H13ClFNO — CID 103047381

IUPAC[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol
SMILESOCc1ccc2ccn(Cc3cc(Cl)ccc3F)c2c1
InChIInChI=1S/C16H13ClFNO/c17-14-3-4-15(18)13(8-14)9-19-6-5-12-2-1-11(10-20)7-16(12)19/h1-8,20H,9-10H2
InChIKeyXXFCUEPNIDFYRF-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.97
Rot. Bonds3

About [1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol

[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol (PubChem CID 103047381) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is [1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol
PubChem CID103047381
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol
SMILESOCc1ccc2ccn(Cc3cc(Cl)ccc3F)c2c1
InChIInChI=1S/C16H13ClFNO/c17-14-3-4-15(18)13(8-14)9-19-6-5-12-2-1-11(10-20)7-16(12)19/h1-8,20H,9-10H2
InChIKeyXXFCUEPNIDFYRF-UHFFFAOYSA-N
XLogP3.97
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carboxylic acid
CID 103047013
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde
CID 103047362
[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol
CID 102912443
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
CID 114859541
4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol
CID 102913078
[1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol
CID 102912858
[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
CID 28886893
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041483
1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole
CID 116620438
1-[(2,5-difluorophenyl)methyl]-6-[1-[(2,5-difluorophenyl)methyl]indol-6-yl]indole
CID 56851726
1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole
CID 116619923

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol?
The IUPAC name of [1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol (CID 103047381) is [1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol.
What is the SMILES notation for [1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol?
The canonical SMILES for [1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol is OCc1ccc2ccn(Cc3cc(Cl)ccc3F)c2c1.
What is the InChIKey of [1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol?
The InChIKey is XXFCUEPNIDFYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-14-3-4-15(18)13(8-14)9-19-6-5-12-2-1-11(10-20)7-16(12)19/h1-8,20H,9-10H2.
What are the key properties of [1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol?
[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol has a molecular weight of 289.74 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol is sourced from PubChem (CID 103047381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).