3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine

C27H25NO — CID 164954543

IUPAC3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine
SMILESCc1ccccc1-c1ccc(Oc2ccc(CCc3cccnc3)cc2)cc1C
InChIInChI=1S/C27H25NO/c1-20-6-3-4-8-26(20)27-16-15-25(18-21(27)2)29-24-13-11-22(12-14-24)9-10-23-7-5-17-28-19-23/h3-8,11-19H,9-10H2,1-2H3
InChIKeyIYXOTLYTQVFXRI-UHFFFAOYSA-N
MW379.50 g/mol
LogP6.94
Rot. Bonds6

About 3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine

3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine (PubChem CID 164954543) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine.

Molecular Properties

Compound Name3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine
PubChem CID164954543
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine
SMILESCc1ccccc1-c1ccc(Oc2ccc(CCc3cccnc3)cc2)cc1C
InChIInChI=1S/C27H25NO/c1-20-6-3-4-8-26(20)27-16-15-25(18-21(27)2)29-24-13-11-22(12-14-24)9-10-23-7-5-17-28-19-23/h3-8,11-19H,9-10H2,1-2H3
InChIKeyIYXOTLYTQVFXRI-UHFFFAOYSA-N
XLogP6.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
3-[2-(5-methylfuran-3-yl)ethyl]pyridine
CID 170375827
2-(4-pyridin-3-yloxyphenyl)ethanamine
CID 63815033
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105115823
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine
CID 141329320
[4-(2-pyridin-3-ylethyl)phenyl]methanol
CID 57319891
[4-(2-pyridin-3-ylethyl)phenyl]hydrazine
CID 14987072
5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one
CID 147437155
2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
CID 156593409
3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine
CID 70949069

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine?
The IUPAC name of 3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine (CID 164954543) is 3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine.
What is the SMILES notation for 3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine?
The canonical SMILES for 3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine is Cc1ccccc1-c1ccc(Oc2ccc(CCc3cccnc3)cc2)cc1C.
What is the InChIKey of 3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine?
The InChIKey is IYXOTLYTQVFXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c1-20-6-3-4-8-26(20)27-16-15-25(18-21(27)2)29-24-13-11-22(12-14-24)9-10-23-7-5-17-28-19-23/h3-8,11-19H,9-10H2,1-2H3.
What are the key properties of 3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine?
3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine has a molecular weight of 379.50 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine is sourced from PubChem (CID 164954543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).