1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol

C25H29NO5 — CID 134197964

IUPAC1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol
SMILESCOc1ccc(COc2cnc(C(O)C(C)C)cc2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H29NO5/c1-17(2)25(27)22-13-23(30-15-18-5-9-20(28-3)10-6-18)24(14-26-22)31-16-19-7-11-21(29-4)12-8-19/h5-14,17,25,27H,15-16H2,1-4H3
InChIKeyHKHOYMUPDBPAEF-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.95
Rot. Bonds10

About 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol

1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol (PubChem CID 134197964) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol
PubChem CID134197964
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Name1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol
SMILESCOc1ccc(COc2cnc(C(O)C(C)C)cc2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H29NO5/c1-17(2)25(27)22-13-23(30-15-18-5-9-20(28-3)10-6-18)24(14-26-22)31-16-19-7-11-21(29-4)12-8-19/h5-14,17,25,27H,15-16H2,1-4H3
InChIKeyHKHOYMUPDBPAEF-UHFFFAOYSA-N
XLogP4.95
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol
CID 134198004
1-[1-hydroxy-4,5-bis[(4-methoxyphenyl)methoxy]pyridin-1-ium-2-yl]-2-methylpropan-1-ol
CID 134198011
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002
1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 83123591
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78931365
1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 115582214
(1R)-1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932320
(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine
CID 103937797
4-[[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-N-[(2S,3R)-1,3-dihydroxy-1-(hydroxyamino)butan-2-yl]benzamide
CID 175055151
O-[1-[1-hydroxy-4,5-bis[(4-methoxyphenyl)methoxy]pyridin-1-ium-2-yl]-2-methylpropyl]hydroxylamine
CID 134197967
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol (CID 134197964) is 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol is COc1ccc(COc2cnc(C(O)C(C)C)cc2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol?
The InChIKey is HKHOYMUPDBPAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5/c1-17(2)25(27)22-13-23(30-15-18-5-9-20(28-3)10-6-18)24(14-26-22)31-16-19-7-11-21(29-4)12-8-19/h5-14,17,25,27H,15-16H2,1-4H3.
What are the key properties of 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol?
1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol has a molecular weight of 423.51 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-methylpropan-1-ol is sourced from PubChem (CID 134197964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).