1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol

C26H31NO6 — CID 134198004

IUPAC1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol
SMILESCOc1ccc(COc2cnc(C(O)COC(C)C)cc2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H31NO6/c1-18(2)31-17-24(28)23-13-25(32-15-19-5-9-21(29-3)10-6-19)26(14-27-23)33-16-20-7-11-22(30-4)12-8-20/h5-14,18,24,28H,15-17H2,1-4H3
InChIKeyZMRKFUPOUSQFQQ-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.72
Rot. Bonds12

About 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol

1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol (PubChem CID 134198004) has the molecular formula C26H31NO6 and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol
PubChem CID134198004
Molecular FormulaC26H31NO6
Molecular Weight453.54 g/mol
Exact Mass453.22
IUPAC Name1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol
SMILESCOc1ccc(COc2cnc(C(O)COC(C)C)cc2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H31NO6/c1-18(2)31-17-24(28)23-13-25(32-15-19-5-9-21(29-3)10-6-19)26(14-27-23)33-16-20-7-11-22(30-4)12-8-20/h5-14,18,24,28H,15-17H2,1-4H3
InChIKeyZMRKFUPOUSQFQQ-UHFFFAOYSA-N
XLogP4.72
TPSA79.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol?
The IUPAC name of 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol (CID 134198004) is 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol?
The canonical SMILES for 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol is COc1ccc(COc2cnc(C(O)COC(C)C)cc2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol?
The InChIKey is ZMRKFUPOUSQFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO6/c1-18(2)31-17-24(28)23-13-25(32-15-19-5-9-21(29-3)10-6-19)26(14-27-23)33-16-20-7-11-22(30-4)12-8-20/h5-14,18,24,28H,15-17H2,1-4H3.
What are the key properties of 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol?
1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol has a molecular weight of 453.54 g/mol, XLogP of 4.72, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-propan-2-yloxyethanol is sourced from PubChem (CID 134198004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).