1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol

C20H20FNO2 — CID 156878622

IUPAC1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol
SMILESCc1cc(-n2c(C3CCOCC3)cc3c(O)cccc32)ccc1F
InChIInChI=1S/C20H20FNO2/c1-13-11-15(5-6-17(13)21)22-18-3-2-4-20(23)16(18)12-19(22)14-7-9-24-10-8-14/h2-6,11-12,14,23H,7-10H2,1H3
InChIKeyMZQMBSBZYCCJEU-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.68
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol

1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol (PubChem CID 156878622) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol
PubChem CID156878622
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol
SMILESCc1cc(-n2c(C3CCOCC3)cc3c(O)cccc32)ccc1F
InChIInChI=1S/C20H20FNO2/c1-13-11-15(5-6-17(13)21)22-18-3-2-4-20(23)16(18)12-19(22)14-7-9-24-10-8-14/h2-6,11-12,14,23H,7-10H2,1H3
InChIKeyMZQMBSBZYCCJEU-UHFFFAOYSA-N
XLogP4.68
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Methylindol-2-yl)phenol
CID 901192
1-Methyl-2-(4-hydroxyphenyl)-6-hydroxy-indole
CID 13408377
2-(4-Hydroxyphenyl)-1,3-dimethylindol-6-ol
CID 13408381
1-Ethyl-2-(4-hydroxyphenyl)-3-methyl-1H-indol-6-ol
CID 13408382
1,3-Diethyl-2-(4-hydroxyphenyl)indol-6-ol
CID 13408386
9-Octylcarbazol-2-ol
CID 15208713
Phenol, 2,2',2''-1H-indole-1,2,3-triyltris(methylene))tris-
CID 185372
1-Ethyl-2-(4-hydroxyphenyl)indol-6-ol
CID 13408378
2-(4-Hydroxyphenyl)-1-propyl-1H-indol-6-ol
CID 13408379
1-Butyl-2-(4-hydroxyphenyl)indol-6-ol
CID 13408380
2-(4-Hydroxyphenyl)-3-methyl-1-propylindol-6-ol
CID 13408383
2-(4-Hydroxyphenyl)-3-methyl-1-propan-2-ylindol-6-ol
CID 13408384

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol (CID 156878622) is 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol is Cc1cc(-n2c(C3CCOCC3)cc3c(O)cccc32)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol?
The InChIKey is MZQMBSBZYCCJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-13-11-15(5-6-17(13)21)22-18-3-2-4-20(23)16(18)12-19(22)14-7-9-24-10-8-14/h2-6,11-12,14,23H,7-10H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol?
1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol has a molecular weight of 325.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol is sourced from PubChem (CID 156878622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).