1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol

C26H23NO4 — CID 21014235

IUPAC1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol
SMILESC=C(O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c(OC)c1
InChIInChI=1S/C26H23NO4/c1-18(28)20-10-11-21(26(14-20)29-2)16-30-23-7-5-8-24(15-23)31-17-22-13-12-19-6-3-4-9-25(19)27-22/h3-15,28H,1,16-17H2,2H3
InChIKeyHSUHDYZBPQHZPT-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.93
Rot. Bonds8

About 1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol

1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol (PubChem CID 21014235) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol.

Molecular Properties

Compound Name1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol
PubChem CID21014235
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol
SMILESC=C(O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c(OC)c1
InChIInChI=1S/C26H23NO4/c1-18(28)20-10-11-21(26(14-20)29-2)16-30-23-7-5-8-24(15-23)31-17-22-13-12-19-6-3-4-9-25(19)27-22/h3-15,28H,1,16-17H2,2H3
InChIKeyHSUHDYZBPQHZPT-UHFFFAOYSA-N
XLogP5.93
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 59117233
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 59117230
3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57172256
2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995097
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616018
2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 19808918
acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 22616056

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol?
The IUPAC name of 1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol (CID 21014235) is 1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol.
What is the SMILES notation for 1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol?
The canonical SMILES for 1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol is C=C(O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol?
The InChIKey is HSUHDYZBPQHZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-18(28)20-10-11-21(26(14-20)29-2)16-30-23-7-5-8-24(15-23)31-17-22-13-12-19-6-3-4-9-25(19)27-22/h3-15,28H,1,16-17H2,2H3.
What are the key properties of 1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol?
1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol has a molecular weight of 413.47 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol is sourced from PubChem (CID 21014235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).