[2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol

C17H15ClFNO — CID 82269307

IUPAC[2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
SMILESCc1ccc(Cn2c(Cl)c(CO)c3cccc(F)c32)cc1
InChIInChI=1S/C17H15ClFNO/c1-11-5-7-12(8-6-11)9-20-16-13(3-2-4-15(16)19)14(10-21)17(20)18/h2-8,21H,9-10H2,1H3
InChIKeyXJJJCGQENXLDAI-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.28
Rot. Bonds3

About [2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol

[2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol (PubChem CID 82269307) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is [2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
PubChem CID82269307
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name[2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
SMILESCc1ccc(Cn2c(Cl)c(CO)c3cccc(F)c32)cc1
InChIInChI=1S/C17H15ClFNO/c1-11-5-7-12(8-6-11)9-20-16-13(3-2-4-15(16)19)14(10-21)17(20)18/h2-8,21H,9-10H2,1H3
InChIKeyXJJJCGQENXLDAI-UHFFFAOYSA-N
XLogP4.28
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol
CID 82268703
[2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol
CID 82268819
2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde
CID 82269315
7-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindole-2-carboxylic acid
CID 83969461
1-benzyl-2-chloro-7-fluoroindole-3-carbaldehyde
CID 82269294
(1-butyl-2,7-dichloroindol-3-yl)methanol
CID 82269358
2-chloro-7-fluoro-1-[(2-methylphenyl)methyl]indole-3-carbonitrile
CID 82269302
1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol
CID 82269259
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356
[2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol
CID 82268825
(E)-3-(2-chloro-1-ethyl-7-fluoroindol-3-yl)-2-methylprop-2-enoic acid
CID 82269262
6-fluoro-1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759603

Frequently Asked Questions

What is the IUPAC name of [2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol?
The IUPAC name of [2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol (CID 82269307) is [2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol?
The canonical SMILES for [2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol is Cc1ccc(Cn2c(Cl)c(CO)c3cccc(F)c32)cc1.
What is the InChIKey of [2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol?
The InChIKey is XJJJCGQENXLDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-11-5-7-12(8-6-11)9-20-16-13(3-2-4-15(16)19)14(10-21)17(20)18/h2-8,21H,9-10H2,1H3.
What are the key properties of [2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol?
[2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol has a molecular weight of 303.76 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 82269307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).