2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol

C26H26FNO — CID 174246583

IUPAC2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol
SMILESCc1ccc2c(c1)c(F)c(-c1c(C)cccc1C)n2Cc1ccc(CCO)cc1
InChIInChI=1S/C26H26FNO/c1-17-7-12-23-22(15-17)25(27)26(24-18(2)5-4-6-19(24)3)28(23)16-21-10-8-20(9-11-21)13-14-29/h4-12,15,29H,13-14,16H2,1-3H3
InChIKeyNUXPKNGZLXTFQQ-UHFFFAOYSA-N
MW387.50 g/mol
LogP5.96
Rot. Bonds5

About 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol

2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol (PubChem CID 174246583) has the molecular formula C26H26FNO and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol
PubChem CID174246583
Molecular FormulaC26H26FNO
Molecular Weight387.50 g/mol
Exact Mass387.20
IUPAC Name2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol
SMILESCc1ccc2c(c1)c(F)c(-c1c(C)cccc1C)n2Cc1ccc(CCO)cc1
InChIInChI=1S/C26H26FNO/c1-17-7-12-23-22(15-17)25(27)26(24-18(2)5-4-6-19(24)3)28(23)16-21-10-8-20(9-11-21)13-14-29/h4-12,15,29H,13-14,16H2,1-3H3
InChIKeyNUXPKNGZLXTFQQ-UHFFFAOYSA-N
XLogP5.96
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol (CID 174246583) is 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol is Cc1ccc2c(c1)c(F)c(-c1c(C)cccc1C)n2Cc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol?
The InChIKey is NUXPKNGZLXTFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO/c1-17-7-12-23-22(15-17)25(27)26(24-18(2)5-4-6-19(24)3)28(23)16-21-10-8-20(9-11-21)13-14-29/h4-12,15,29H,13-14,16H2,1-3H3.
What are the key properties of 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol?
2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol has a molecular weight of 387.50 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,6-dimethylphenyl)-3-fluoro-5-methylindol-1-yl]methyl]phenyl]ethanol is sourced from PubChem (CID 174246583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).