2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol

C23H26FNO2 — CID 143099680

IUPAC2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol
SMILESCCc1ccc(Cn2ccc3ccc(C4CC(O)CC(CF)O4)cc32)cc1
InChIInChI=1S/C23H26FNO2/c1-2-16-3-5-17(6-4-16)15-25-10-9-18-7-8-19(11-22(18)25)23-13-20(26)12-21(14-24)27-23/h3-11,20-21,23,26H,2,12-15H2,1H3
InChIKeyRBPSKRMHVOHCGI-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.80
Rot. Bonds5

About 2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol

2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol (PubChem CID 143099680) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol.

Molecular Properties

Compound Name2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol
PubChem CID143099680
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol
SMILESCCc1ccc(Cn2ccc3ccc(C4CC(O)CC(CF)O4)cc32)cc1
InChIInChI=1S/C23H26FNO2/c1-2-16-3-5-17(6-4-16)15-25-10-9-18-7-8-19(11-22(18)25)23-13-20(26)12-21(14-24)27-23/h3-11,20-21,23,26H,2,12-15H2,1H3
InChIKeyRBPSKRMHVOHCGI-UHFFFAOYSA-N
XLogP4.80
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol?
The IUPAC name of 2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol (CID 143099680) is 2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol.
What is the SMILES notation for 2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol?
The canonical SMILES for 2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol is CCc1ccc(Cn2ccc3ccc(C4CC(O)CC(CF)O4)cc32)cc1.
What is the InChIKey of 2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol?
The InChIKey is RBPSKRMHVOHCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO2/c1-2-16-3-5-17(6-4-16)15-25-10-9-18-7-8-19(11-22(18)25)23-13-20(26)12-21(14-24)27-23/h3-11,20-21,23,26H,2,12-15H2,1H3.
What are the key properties of 2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol?
2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol has a molecular weight of 367.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylphenyl)methyl]indol-6-yl]-6-(fluoromethyl)oxan-4-ol is sourced from PubChem (CID 143099680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).