6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine

C29H37NO3 — CID 66995131

IUPAC6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine
SMILESCCCOc1ccc(OCc2c(OC(C)C)cc(-c3c(CC)cccc3CC)nc2C)cc1
InChIInChI=1S/C29H37NO3/c1-7-17-31-24-13-15-25(16-14-24)32-19-26-21(6)30-27(18-28(26)33-20(4)5)29-22(8-2)11-10-12-23(29)9-3/h10-16,18,20H,7-9,17,19H2,1-6H3
InChIKeyRLYITLAJWDLZHX-UHFFFAOYSA-N
MW447.62 g/mol
LogP7.34
Rot. Bonds11

About 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine

6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine (PubChem CID 66995131) has the molecular formula C29H37NO3 and a molecular weight of 447.62 g/mol. Its IUPAC name is 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine.

Molecular Properties

Compound Name6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine
PubChem CID66995131
Molecular FormulaC29H37NO3
Molecular Weight447.62 g/mol
Exact Mass447.28
IUPAC Name6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine
SMILESCCCOc1ccc(OCc2c(OC(C)C)cc(-c3c(CC)cccc3CC)nc2C)cc1
InChIInChI=1S/C29H37NO3/c1-7-17-31-24-13-15-25(16-14-24)32-19-26-21(6)30-27(18-28(26)33-20(4)5)29-22(8-2)11-10-12-23(29)9-3/h10-16,18,20H,7-9,17,19H2,1-6H3
InChIKeyRLYITLAJWDLZHX-UHFFFAOYSA-N
XLogP7.34
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine with MolForge

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Related Compounds

CP-316311
CID 9818802
Pyridine, 3-ethyl-4-(1-ethylpropoxy)-6-methyl-2-(2,4,6-trimethylphenoxy)-
CID 9819381
4-[(1-Methoxybutan-2-yl)oxy]-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 9819482
2-(2,6-Dimethyl-4-propylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 9820041
2-(4-Ethoxy-2,6-dimethylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 9885105
2-(4-Ethyl-2,6-dimethylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 9927970
2-(4-Methoxy-2,6-dimethylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 9949999
4-(1-Ethyl-propenyloxy)-3,6-dimethyl-2-(2,4,6-trimethyl-phenoxy)-pyridine
CID 18392782
2-Methyl-4-(pentan-3-yloxy)-6-(2,4,6-trimethylphenoxy)pyridine
CID 21912127
4-(Butan-2-yloxy)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 21912152
2,3,5-Trimethyl-4-(pentan-3-yloxy)-6-(2,4,6-trimethylphenoxy)pyridine
CID 21912198
2-(4-{[3,6-Dimethyl-4-(pentan-3-yloxy)pyridin-2-yl]oxy}-3,5-dimethylphenyl)propan-2-ol
CID 21912239

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine?
The IUPAC name of 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine (CID 66995131) is 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine.
What is the SMILES notation for 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine?
The canonical SMILES for 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine is CCCOc1ccc(OCc2c(OC(C)C)cc(-c3c(CC)cccc3CC)nc2C)cc1.
What is the InChIKey of 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine?
The InChIKey is RLYITLAJWDLZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NO3/c1-7-17-31-24-13-15-25(16-14-24)32-19-26-21(6)30-27(18-28(26)33-20(4)5)29-22(8-2)11-10-12-23(29)9-3/h10-16,18,20H,7-9,17,19H2,1-6H3.
What are the key properties of 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine?
6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine has a molecular weight of 447.62 g/mol, XLogP of 7.34, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine is sourced from PubChem (CID 66995131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).