[4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol

C22H23NO2 — CID 68991163

IUPAC[4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol
SMILESCCc1ccc(CO)c(OCc2ccccc2)c1-c1ccc(C)nc1
InChIInChI=1S/C22H23NO2/c1-3-18-11-12-20(14-24)22(25-15-17-7-5-4-6-8-17)21(18)19-10-9-16(2)23-13-19/h4-13,24H,3,14-15H2,1-2H3
InChIKeyLTZJEABJBAFOTN-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.69
Rot. Bonds6

About [4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol

[4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol (PubChem CID 68991163) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is [4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol.

Molecular Properties

Compound Name[4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol
PubChem CID68991163
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name[4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol
SMILESCCc1ccc(CO)c(OCc2ccccc2)c1-c1ccc(C)nc1
InChIInChI=1S/C22H23NO2/c1-3-18-11-12-20(14-24)22(25-15-17-7-5-4-6-8-17)21(18)19-10-9-16(2)23-13-19/h4-13,24H,3,14-15H2,1-2H3
InChIKeyLTZJEABJBAFOTN-UHFFFAOYSA-N
XLogP4.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol?
The IUPAC name of [4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol (CID 68991163) is [4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol.
What is the SMILES notation for [4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol?
The canonical SMILES for [4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol is CCc1ccc(CO)c(OCc2ccccc2)c1-c1ccc(C)nc1.
What is the InChIKey of [4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol?
The InChIKey is LTZJEABJBAFOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-18-11-12-20(14-24)22(25-15-17-7-5-4-6-8-17)21(18)19-10-9-16(2)23-13-19/h4-13,24H,3,14-15H2,1-2H3.
What are the key properties of [4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol?
[4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol has a molecular weight of 333.43 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-3-(6-methyl-3-pyridinyl)-2-phenylmethoxyphenyl]methanol is sourced from PubChem (CID 68991163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).