3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol

C26H23NO3 — CID 170979866

IUPAC3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol
SMILESCc1ccc(O)cc1-c1ccc(OCc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C26H23NO3/c1-19-12-13-22(28)16-24(19)23-14-15-25(29-17-20-8-4-2-5-9-20)27-26(23)30-18-21-10-6-3-7-11-21/h2-16,28H,17-18H2,1H3
InChIKeyLBEHOSIBZYQQMA-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.92
Rot. Bonds7

About 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol

3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol (PubChem CID 170979866) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol.

Molecular Properties

Compound Name3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol
PubChem CID170979866
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol
SMILESCc1ccc(O)cc1-c1ccc(OCc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C26H23NO3/c1-19-12-13-22(28)16-24(19)23-14-15-25(29-17-20-8-4-2-5-9-20)27-26(23)30-18-21-10-6-3-7-11-21/h2-16,28H,17-18H2,1H3
InChIKeyLBEHOSIBZYQQMA-UHFFFAOYSA-N
XLogP5.92
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-ol
CID 170321681
4-(2-methyl-6-phenylmethoxy-3-pyridinyl)phenol
CID 170262262
[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol
CID 166113291
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 163203487
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline
CID 168874664
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid
CID 175422727
3-(6-chloro-1-benzothiophen-3-yl)-2,6-bis(phenylmethoxy)pyridine
CID 177056978
3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine
CID 167474815
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid
CID 175548926
2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine
CID 175543369
2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine
CID 144823733
3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 170322517

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol?
The IUPAC name of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol (CID 170979866) is 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol.
What is the SMILES notation for 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol?
The canonical SMILES for 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol is Cc1ccc(O)cc1-c1ccc(OCc2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol?
The InChIKey is LBEHOSIBZYQQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-19-12-13-22(28)16-24(19)23-14-15-25(29-17-20-8-4-2-5-9-20)27-26(23)30-18-21-10-6-3-7-11-21/h2-16,28H,17-18H2,1H3.
What are the key properties of 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol?
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol has a molecular weight of 397.47 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol is sourced from PubChem (CID 170979866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).