[2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol

C17H15ClFNO — CID 82268819

IUPAC[2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol
SMILESCc1cccc(Cn2c(Cl)c(CO)c3cc(F)ccc32)c1
InChIInChI=1S/C17H15ClFNO/c1-11-3-2-4-12(7-11)9-20-16-6-5-13(19)8-14(16)15(10-21)17(20)18/h2-8,21H,9-10H2,1H3
InChIKeyMRRNJQCVJQJWTO-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.28
Rot. Bonds3

About [2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol

[2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol (PubChem CID 82268819) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is [2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol
PubChem CID82268819
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name[2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol
SMILESCc1cccc(Cn2c(Cl)c(CO)c3cc(F)ccc32)c1
InChIInChI=1S/C17H15ClFNO/c1-11-3-2-4-12(7-11)9-20-16-6-5-13(19)8-14(16)15(10-21)17(20)18/h2-8,21H,9-10H2,1H3
InChIKeyMRRNJQCVJQJWTO-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-5-fluoro-1-[(3-methylphenyl)methyl]indole-3-carbonitrile
CID 82268820
[2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol
CID 82268825
[2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol
CID 82268703
2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde
CID 82268494
1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol
CID 82268397
[2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
CID 82269307
2-(1-chloroethyl)-5-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 60902916
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
2-(2-chloroethyl)-6-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 62376867
9-benzyl-6-fluorocarbazol-4-ol
CID 18671696
2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile
CID 82268508
9-[(4-fluorophenyl)methyl]-6-methylcarbazol-4-ol
CID 18671681

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol?
The IUPAC name of [2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol (CID 82268819) is [2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol?
The canonical SMILES for [2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol is Cc1cccc(Cn2c(Cl)c(CO)c3cc(F)ccc32)c1.
What is the InChIKey of [2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol?
The InChIKey is MRRNJQCVJQJWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-11-3-2-4-12(7-11)9-20-16-6-5-13(19)8-14(16)15(10-21)17(20)18/h2-8,21H,9-10H2,1H3.
What are the key properties of [2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol?
[2-chloro-5-fluoro-1-[(3-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-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 82268819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).