[2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone

C21H27NO5 — CID 89415745

IUPAC[2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1OCOCCCN(CCO)CCO
InChIInChI=1S/C21H27NO5/c23-14-12-22(13-15-24)11-6-16-26-17-27-20-10-5-4-9-19(20)21(25)18-7-2-1-3-8-18/h1-5,7-10,23-24H,6,11-17H2
InChIKeyGBIBIUDRVYMUPQ-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.95
Rot. Bonds13

About [2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone

[2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone (PubChem CID 89415745) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is [2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone
PubChem CID89415745
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name[2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1OCOCCCN(CCO)CCO
InChIInChI=1S/C21H27NO5/c23-14-12-22(13-15-24)11-6-16-26-17-27-20-10-5-4-9-19(20)21(25)18-7-2-1-3-8-18/h1-5,7-10,23-24H,6,11-17H2
InChIKeyGBIBIUDRVYMUPQ-UHFFFAOYSA-N
XLogP1.95
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(4-hydroxybutoxy)phenyl]-phenylmethanone
CID 166068572
[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
CID 58184911
[2-(4-bromobutoxy)phenyl]-phenylmethanone
CID 12660376
phenyl-(2-propoxyphenyl)methanone
CID 15556308
2-benzoyl-N,N-bis(2-hydroxyethyl)benzamide;[4-[3-[bis(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone;[4-[bis(2-hydroxypropyl)amino]phenyl]-phenylmethanone
CID 160847894
phenyl-(2-prop-2-ynoxyphenyl)methanone
CID 90928602
6-(2-benzoylphenoxy)hexyl prop-2-enoate
CID 172762769
1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone
CID 115613776
2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63571903
2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid
CID 63644970
ethenyl 2-(2-benzoylphenoxy)acetate
CID 141075615
(2-phenoxyphenyl)-phenylmethanone
CID 10802273

Frequently Asked Questions

What is the IUPAC name of [2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone?
The IUPAC name of [2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone (CID 89415745) is [2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone?
The canonical SMILES for [2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1OCOCCCN(CCO)CCO.
What is the InChIKey of [2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone?
The InChIKey is GBIBIUDRVYMUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c23-14-12-22(13-15-24)11-6-16-26-17-27-20-10-5-4-9-19(20)21(25)18-7-2-1-3-8-18/h1-5,7-10,23-24H,6,11-17H2.
What are the key properties of [2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone?
[2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone has a molecular weight of 373.45 g/mol, XLogP of 1.95, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 89415745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).