ethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine)

C56H68N6O5 — CID 142185725

IUPACethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine)
SMILESCC.CCOC(CO)COCCOc1ccc(-c2ccnc(C)c2)cc1.COc1ccc(-c2ccnc(C)c2)cc1.Cc1ccccn1.Cc1ccccn1.c1ccncc1.c1ccncc1
InChIInChI=1S/C19H25NO4.C13H13NO.2C6H7N.2C5H5N.C2H6/c1-3-23-19(13-21)14-22-10-11-24-18-6-4-16(5-7-18)17-8-9-20-15(2)12-17;1-10-9-12(7-8-14-10)11-3-5-13(15-2)6-4-11;2*1-6-4-2-3-5-7-6;2*1-2-4-6-5-3-1;1-2/h4-9,12,19,21H,3,10-11,13-14H2,1-2H3;3-9H,1-2H3;2*2-5H,1H3;2*1-5H;1-2H3
InChIKeyOBKWLLRLHCJTLR-UHFFFAOYSA-N
MW905.20 g/mol
LogP11.88
Rot. Bonds12

About ethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine)

ethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine) (PubChem CID 142185725) has the molecular formula C56H68N6O5 and a molecular weight of 905.20 g/mol. Its IUPAC name is ethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine).

Molecular Properties

Compound Nameethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine)
PubChem CID142185725
Molecular FormulaC56H68N6O5
Molecular Weight905.20 g/mol
Exact Mass904.53
IUPAC Nameethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine)
SMILESCC.CCOC(CO)COCCOc1ccc(-c2ccnc(C)c2)cc1.COc1ccc(-c2ccnc(C)c2)cc1.Cc1ccccn1.Cc1ccccn1.c1ccncc1.c1ccncc1
InChIInChI=1S/C19H25NO4.C13H13NO.2C6H7N.2C5H5N.C2H6/c1-3-23-19(13-21)14-22-10-11-24-18-6-4-16(5-7-18)17-8-9-20-15(2)12-17;1-10-9-12(7-8-14-10)11-3-5-13(15-2)6-4-11;2*1-6-4-2-3-5-7-6;2*1-2-4-6-5-3-1;1-2/h4-9,12,19,21H,3,10-11,13-14H2,1-2H3;3-9H,1-2H3;2*2-5H,1H3;2*1-5H;1-2H3
InChIKeyOBKWLLRLHCJTLR-UHFFFAOYSA-N
XLogP11.88
TPSA134.49 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.20
LogP ≤ 511.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
4'-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 630929
Ethanol, 2-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-
CID 368990
1-(4-{[Methyl(4-quinolinylmethyl)amino]methyl}phenoxy)-3-(1-piperidinyl)-2-propanol
CID 16187547
1-Hexanol, 6-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-
CID 368991
(3-{4-[2-(5-Ethylpyridin-2-yl)ethoxy]phenyl}-4,5-dihydroisoxazol-5-yl)methanol
CID 17757702
4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132597360
2-[[5,11,17,23-Tetratert-butyl-26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]pyridine
CID 15163579
4-Phenoxyphenyl(RS)-2-(pyridyloxy)propylether
CID 22020265
4-(4-Octoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 89459821
4,4'-Bis(2-(4-t-butyloxyphenyl)ethenyl)-2,2'-bipyridine
CID 129865799
2-[4-(2,6-Dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid
CID 139239393

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine)?
The IUPAC name of ethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine) (CID 142185725) is ethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine).
What is the SMILES notation for ethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine)?
The canonical SMILES for ethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine) is CC.CCOC(CO)COCCOc1ccc(-c2ccnc(C)c2)cc1.COc1ccc(-c2ccnc(C)c2)cc1.Cc1ccccn1.Cc1ccccn1.c1ccncc1.c1ccncc1.
What is the InChIKey of ethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine)?
The InChIKey is OBKWLLRLHCJTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4.C13H13NO.2C6H7N.2C5H5N.C2H6/c1-3-23-19(13-21)14-22-10-11-24-18-6-4-16(5-7-18)17-8-9-20-15(2)12-17;1-10-9-12(7-8-14-10)11-3-5-13(15-2)6-4-11;2*1-6-4-2-3-5-7-6;2*1-2-4-6-5-3-1;1-2/h4-9,12,19,21H,3,10-11,13-14H2,1-2H3;3-9H,1-2H3;2*2-5H,1H3;2*1-5H;1-2H3.
What are the key properties of ethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine)?
ethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine) has a molecular weight of 905.20 g/mol, XLogP of 11.88, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxy-3-[2-[4-(2-methyl-4-pyridinyl)phenoxy]ethoxy]propan-1-ol;4-(4-methoxyphenyl)-2-methylpyridine;bis(2-methylpyridine);bis(pyridine) is sourced from PubChem (CID 142185725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).