[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol

C22H23NO5 — CID 15662506

IUPAC[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
SMILESCOc1ccc(COc2cnc(CO)cc2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H23NO5/c1-25-19-7-3-16(4-8-19)14-27-21-11-18(13-24)23-12-22(21)28-15-17-5-9-20(26-2)10-6-17/h3-12,24H,13-15H2,1-2H3
InChIKeyHDQDZFYBTMLGBB-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.75
Rot. Bonds9

About [4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol

[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol (PubChem CID 15662506) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is [4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
PubChem CID15662506
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
SMILESCOc1ccc(COc2cnc(CO)cc2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H23NO5/c1-25-19-7-3-16(4-8-19)14-27-21-11-18(13-24)23-12-22(21)28-15-17-5-9-20(26-2)10-6-17/h3-12,24H,13-15H2,1-2H3
InChIKeyHDQDZFYBTMLGBB-UHFFFAOYSA-N
XLogP3.75
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol?
The IUPAC name of [4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol (CID 15662506) is [4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol?
The canonical SMILES for [4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol is COc1ccc(COc2cnc(CO)cc2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of [4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol?
The InChIKey is HDQDZFYBTMLGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-25-19-7-3-16(4-8-19)14-27-21-11-18(13-24)23-12-22(21)28-15-17-5-9-20(26-2)10-6-17/h3-12,24H,13-15H2,1-2H3.
What are the key properties of [4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol?
[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol has a molecular weight of 381.43 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 15662506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).