[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride

C30H32ClNO3 — CID 11016435

IUPAC[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride
SMILESCC(C)(c1ccc(O)cc1)c1ccc(OCc2cccc(COc3ccc(C[NH3+])cc3)c2)cc1.[Cl-]
InChIInChI=1S/C30H31NO3.ClH/c1-30(2,25-8-12-27(32)13-9-25)26-10-16-29(17-11-26)34-21-24-5-3-4-23(18-24)20-33-28-14-6-22(19-31)7-15-28;/h3-18,32H,19-21,31H2,1-2H3;1H
InChIKeyJOXOPNSMSINMLL-UHFFFAOYSA-N
MW490.04 g/mol
LogP2.62
Rot. Bonds9

About [4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride

[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride (PubChem CID 11016435) has the molecular formula C30H32ClNO3 and a molecular weight of 490.04 g/mol. Its IUPAC name is [4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride.

Molecular Properties

Compound Name[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride
PubChem CID11016435
Molecular FormulaC30H32ClNO3
Molecular Weight490.04 g/mol
Exact Mass489.21
IUPAC Name[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride
SMILESCC(C)(c1ccc(O)cc1)c1ccc(OCc2cccc(COc3ccc(C[NH3+])cc3)c2)cc1.[Cl-]
InChIInChI=1S/C30H31NO3.ClH/c1-30(2,25-8-12-27(32)13-9-25)26-10-16-29(17-11-26)34-21-24-5-3-4-23(18-24)20-33-28-14-6-22(19-31)7-15-28;/h3-18,32H,19-21,31H2,1-2H3;1H
InChIKeyJOXOPNSMSINMLL-UHFFFAOYSA-N
XLogP2.62
TPSA66.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.04
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride with MolForge

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Related Compounds

4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzonitrile
CID 10863286
2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine
CID 20685417
ethyl 4-[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]-4-(4-hydroxyphenyl)pentanoate
CID 20685431
4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol
CID 20685429
3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol
CID 70563194
[4-[2-[4-[[3-[(4-ethanimidoylphenoxy)methyl]phenyl]methoxy]phenyl]propan-2-yl]phenyl] hydrogen sulfate
CID 18335101
4-[[3-[[4-[2-(4-fluorophenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide
CID 54084180
4-[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]sulfanylphenol
CID 15407959
4-[2-[4-(trimethylsilylmethoxy)phenyl]propan-2-yl]phenol
CID 59326359
3-[(4-ethylphenoxy)methyl]phenol
CID 70330427
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride?
The IUPAC name of [4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride (CID 11016435) is [4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride.
What is the SMILES notation for [4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride?
The canonical SMILES for [4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride is CC(C)(c1ccc(O)cc1)c1ccc(OCc2cccc(COc3ccc(C[NH3+])cc3)c2)cc1.[Cl-].
What is the InChIKey of [4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride?
The InChIKey is JOXOPNSMSINMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO3.ClH/c1-30(2,25-8-12-27(32)13-9-25)26-10-16-29(17-11-26)34-21-24-5-3-4-23(18-24)20-33-28-14-6-22(19-31)7-15-28;/h3-18,32H,19-21,31H2,1-2H3;1H.
What are the key properties of [4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride?
[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride has a molecular weight of 490.04 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylazanium chloride is sourced from PubChem (CID 11016435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).