[5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol

C17H16FNO — CID 52951101

IUPAC[5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
SMILESCc1ccc(Cn2cc(CO)c3cc(F)ccc32)cc1
InChIInChI=1S/C17H16FNO/c1-12-2-4-13(5-3-12)9-19-10-14(11-20)16-8-15(18)6-7-17(16)19/h2-8,10,20H,9,11H2,1H3
InChIKeyOQYMGWYHJXTWTJ-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.63
Rot. Bonds3

About [5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol

[5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol (PubChem CID 52951101) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is [5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
PubChem CID52951101
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name[5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
SMILESCc1ccc(Cn2cc(CO)c3cc(F)ccc32)cc1
InChIInChI=1S/C17H16FNO/c1-12-2-4-13(5-3-12)9-19-10-14(11-20)16-8-15(18)6-7-17(16)19/h2-8,10,20H,9,11H2,1H3
InChIKeyOQYMGWYHJXTWTJ-UHFFFAOYSA-N
XLogP3.63
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol?
The IUPAC name of [5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol (CID 52951101) is [5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol?
The canonical SMILES for [5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol is Cc1ccc(Cn2cc(CO)c3cc(F)ccc32)cc1.
What is the InChIKey of [5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol?
The InChIKey is OQYMGWYHJXTWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-2-4-13(5-3-12)9-19-10-14(11-20)16-8-15(18)6-7-17(16)19/h2-8,10,20H,9,11H2,1H3.
What are the key properties of [5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol?
[5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol has a molecular weight of 269.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 52951101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).