[4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol

C30H31NO6 — CID 68665796

IUPAC[4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol
SMILESCOc1ccc(C(OCCOc2cc(CO)nc(CO)c2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H31NO6/c1-34-27-12-8-23(9-13-27)30(22-6-4-3-5-7-22,24-10-14-28(35-2)15-11-24)37-17-16-36-29-18-25(20-32)31-26(19-29)21-33/h3-15,18-19,32-33H,16-17,20-21H2,1-2H3
InChIKeyCDMGSYGIYBYROI-UHFFFAOYSA-N
MW501.58 g/mol
LogP4.47
Rot. Bonds12

About [4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol

[4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol (PubChem CID 68665796) has the molecular formula C30H31NO6 and a molecular weight of 501.58 g/mol. Its IUPAC name is [4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol
PubChem CID68665796
Molecular FormulaC30H31NO6
Molecular Weight501.58 g/mol
Exact Mass501.22
IUPAC Name[4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol
SMILESCOc1ccc(C(OCCOc2cc(CO)nc(CO)c2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H31NO6/c1-34-27-12-8-23(9-13-27)30(22-6-4-3-5-7-22,24-10-14-28(35-2)15-11-24)37-17-16-36-29-18-25(20-32)31-26(19-29)21-33/h3-15,18-19,32-33H,16-17,20-21H2,1-2H3
InChIKeyCDMGSYGIYBYROI-UHFFFAOYSA-N
XLogP4.47
TPSA90.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.58
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol?
The IUPAC name of [4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol (CID 68665796) is [4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol?
The canonical SMILES for [4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol is COc1ccc(C(OCCOc2cc(CO)nc(CO)c2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol?
The InChIKey is CDMGSYGIYBYROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO6/c1-34-27-12-8-23(9-13-27)30(22-6-4-3-5-7-22,24-10-14-28(35-2)15-11-24)37-17-16-36-29-18-25(20-32)31-26(19-29)21-33/h3-15,18-19,32-33H,16-17,20-21H2,1-2H3.
What are the key properties of [4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol?
[4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol has a molecular weight of 501.58 g/mol, XLogP of 4.47, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-6-(hydroxymethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 68665796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).