2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate

C17H29NO6 — CID 158298173

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate
SMILESCCCCOC(=O)c1ccc(O)cc1.OCCN(CCO)CCO
InChIInChI=1S/C11H14O3.C6H15NO3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;8-4-1-7(2-5-9)3-6-10/h4-7,12H,2-3,8H2,1H3;8-10H,1-6H2
InChIKeyGMEAITWWFMBLCI-UHFFFAOYSA-N
MW343.42 g/mol
LogP0.61
Rot. Bonds10

About 2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate

2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate (PubChem CID 158298173) has the molecular formula C17H29NO6 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate
PubChem CID158298173
Molecular FormulaC17H29NO6
Molecular Weight343.42 g/mol
Exact Mass343.20
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate
SMILESCCCCOC(=O)c1ccc(O)cc1.OCCN(CCO)CCO
InChIInChI=1S/C11H14O3.C6H15NO3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;8-4-1-7(2-5-9)3-6-10/h4-7,12H,2-3,8H2,1H3;8-10H,1-6H2
InChIKeyGMEAITWWFMBLCI-UHFFFAOYSA-N
XLogP0.61
TPSA110.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
5-(diheptylamino)pentyl 4-hydroxybenzoate
CID 139714343
5-(dioctylamino)pentyl 4-hydroxybenzoate
CID 139714334
butane;docosyl 4-hydroxybenzoate
CID 175271638
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
butyl 4-hydroxybenzoate;ethyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 118197225
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
bis[3-(dihexylamino)propyl] benzene-1,4-dicarboxylate
CID 139956404
propyl 4-hydroxybenzoate
CID 66683808
4-(4-hexoxybutoxy)butyl 4-hydroxybenzoate
CID 54410325
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate (CID 158298173) is 2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate is CCCCOC(=O)c1ccc(O)cc1.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate?
The InChIKey is GMEAITWWFMBLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.C6H15NO3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;8-4-1-7(2-5-9)3-6-10/h4-7,12H,2-3,8H2,1H3;8-10H,1-6H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate?
2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate has a molecular weight of 343.42 g/mol, XLogP of 0.61, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;butyl 4-hydroxybenzoate is sourced from PubChem (CID 158298173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).