3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol

C25H29NO4 — CID 174457698

IUPAC3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc(-c2cccc(OCc3ccc(OC)c(CO)c3)c2)nc1
InChIInChI=1S/C25H29NO4/c1-4-25(28,5-2)21-10-11-23(26-15-21)19-7-6-8-22(14-19)30-17-18-9-12-24(29-3)20(13-18)16-27/h6-15,27-28H,4-5,16-17H2,1-3H3
InChIKeyUAXVUSNXQKTINR-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.84
Rot. Bonds9

About 3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol

3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol (PubChem CID 174457698) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol.

Molecular Properties

Compound Name3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol
PubChem CID174457698
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc(-c2cccc(OCc3ccc(OC)c(CO)c3)c2)nc1
InChIInChI=1S/C25H29NO4/c1-4-25(28,5-2)21-10-11-23(26-15-21)19-7-6-8-22(14-19)30-17-18-9-12-24(29-3)20(13-18)16-27/h6-15,27-28H,4-5,16-17H2,1-3H3
InChIKeyUAXVUSNXQKTINR-UHFFFAOYSA-N
XLogP4.84
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol with MolForge

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Related Compounds

3-[4-[5-[[4-(hydroxymethyl)phenyl]methoxy]-2-methoxyphenyl]-3-methylphenyl]pentan-3-ol
CID 174444098
3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
CID 22406587
3-[4-[5-[[3,4-bis(hydroxymethyl)phenyl]methoxy]-2-methylphenyl]-3,5-dimethylphenyl]pentan-3-ol
CID 22606957
[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919
[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 65338351
3-[4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]-2-methylphenyl]-3,5-dimethylphenyl]pentan-3-ol
CID 10182294
2-[3-(5-methoxy-2-pyridinyl)phenyl]propan-2-ol
CID 90271580
[2-methoxy-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]methanol
CID 90399338
(5-ethoxy-2-methoxyphenyl)methanol
CID 82643938
2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine
CID 74241458
7-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-3-ethylocta-4,6-dien-3-ol
CID 57058058
2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol
CID 117001680

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol?
The IUPAC name of 3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol (CID 174457698) is 3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol.
What is the SMILES notation for 3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol?
The canonical SMILES for 3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol is CCC(O)(CC)c1ccc(-c2cccc(OCc3ccc(OC)c(CO)c3)c2)nc1.
What is the InChIKey of 3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol?
The InChIKey is UAXVUSNXQKTINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-4-25(28,5-2)21-10-11-23(26-15-21)19-7-6-8-22(14-19)30-17-18-9-12-24(29-3)20(13-18)16-27/h6-15,27-28H,4-5,16-17H2,1-3H3.
What are the key properties of 3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol?
3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol has a molecular weight of 407.51 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-[[3-(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]-3-pyridinyl]pentan-3-ol is sourced from PubChem (CID 174457698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).