2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid

C14H21Cl2NO6 — CID 12849725

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C8H6Cl2O3.C6H15NO3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;8-4-1-7(2-5-9)3-6-10/h2-3H,1H3,(H,11,12);8-10H,1-6H2
InChIKeyZMLZTMPXQOOCNI-UHFFFAOYSA-N
MW370.23 g/mol
LogP0.97
Rot. Bonds8

About 2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid

2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid (PubChem CID 12849725) has the molecular formula C14H21Cl2NO6 and a molecular weight of 370.23 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid
PubChem CID12849725
Molecular FormulaC14H21Cl2NO6
Molecular Weight370.23 g/mol
Exact Mass369.07
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C8H6Cl2O3.C6H15NO3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;8-4-1-7(2-5-9)3-6-10/h2-3H,1H3,(H,11,12);8-10H,1-6H2
InChIKeyZMLZTMPXQOOCNI-UHFFFAOYSA-N
XLogP0.97
TPSA110.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid (CID 12849725) is 2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid is COc1c(Cl)ccc(Cl)c1C(=O)O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid?
The InChIKey is ZMLZTMPXQOOCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.C6H15NO3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;8-4-1-7(2-5-9)3-6-10/h2-3H,1H3,(H,11,12);8-10H,1-6H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid?
2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid has a molecular weight of 370.23 g/mol, XLogP of 0.97, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;3,6-dichloro-2-methoxybenzoic acid is sourced from PubChem (CID 12849725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).