3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol

C19H26N2O4 — CID 15475986

IUPAC3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol
SMILESCN(C)c1cc(O)cc(OCCCOc2cc(O)cc(N(C)C)c2)c1
InChIInChI=1S/C19H26N2O4/c1-20(2)14-8-16(22)12-18(10-14)24-6-5-7-25-19-11-15(21(3)4)9-17(23)13-19/h8-13,22-23H,5-7H2,1-4H3
InChIKeyIQDJVLCZCANMSW-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.08
Rot. Bonds8

About 3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol

3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol (PubChem CID 15475986) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol.

Molecular Properties

Compound Name3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol
PubChem CID15475986
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol
SMILESCN(C)c1cc(O)cc(OCCCOc2cc(O)cc(N(C)C)c2)c1
InChIInChI=1S/C19H26N2O4/c1-20(2)14-8-16(22)12-18(10-14)24-6-5-7-25-19-11-15(21(3)4)9-17(23)13-19/h8-13,22-23H,5-7H2,1-4H3
InChIKeyIQDJVLCZCANMSW-UHFFFAOYSA-N
XLogP3.08
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol?
The IUPAC name of 3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol (CID 15475986) is 3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol.
What is the SMILES notation for 3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol?
The canonical SMILES for 3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol is CN(C)c1cc(O)cc(OCCCOc2cc(O)cc(N(C)C)c2)c1.
What is the InChIKey of 3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol?
The InChIKey is IQDJVLCZCANMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-20(2)14-8-16(22)12-18(10-14)24-6-5-7-25-19-11-15(21(3)4)9-17(23)13-19/h8-13,22-23H,5-7H2,1-4H3.
What are the key properties of 3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol?
3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol has a molecular weight of 346.43 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-[3-[3-(dimethylamino)-5-hydroxyphenoxy]propoxy]phenol is sourced from PubChem (CID 15475986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).