[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol

C23H23NO4 — CID 123713714

IUPAC[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol
SMILESCONC(=COc1ccc(COc2ccc(CO)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H23NO4/c1-26-24-23(20-5-3-2-4-6-20)17-28-22-13-9-19(10-14-22)16-27-21-11-7-18(15-25)8-12-21/h2-14,17,24-25H,15-16H2,1H3
InChIKeyXBMFXTAHMJHIQB-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.29
Rot. Bonds9

About [4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol

[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol (PubChem CID 123713714) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is [4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol
PubChem CID123713714
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol
SMILESCONC(=COc1ccc(COc2ccc(CO)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H23NO4/c1-26-24-23(20-5-3-2-4-6-20)17-28-22-13-9-19(10-14-22)16-27-21-11-7-18(15-25)8-12-21/h2-14,17,24-25H,15-16H2,1H3
InChIKeyXBMFXTAHMJHIQB-UHFFFAOYSA-N
XLogP4.29
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde
CID 123442241
methyl 2,3-dihydroxy-3-[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]propanoate
CID 123693725
2-methoxy-4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]benzaldehyde
CID 123326670
ethyl 3-[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]-2-methyl-3-phenylpropanoate
CID 123934431
methyl 4-[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]-5-methyl-1,2-oxazole-3-carboxylate
CID 123154378
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
3-[2-fluoro-4-[[3-methoxy-4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]propanoic acid
CID 123472115
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
O-[[4-(hydroxymethyl)phenyl]methyl] benzenecarbothioate
CID 18930839
[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 86004724
[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443
[4-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 54940415

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol?
The IUPAC name of [4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol (CID 123713714) is [4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol?
The canonical SMILES for [4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol is CONC(=COc1ccc(COc2ccc(CO)cc2)cc1)c1ccccc1.
What is the InChIKey of [4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol?
The InChIKey is XBMFXTAHMJHIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-26-24-23(20-5-3-2-4-6-20)17-28-22-13-9-19(10-14-22)16-27-21-11-7-18(15-25)8-12-21/h2-14,17,24-25H,15-16H2,1H3.
What are the key properties of [4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol?
[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol has a molecular weight of 377.44 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 123713714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).