2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate

C22H27NO6 — CID 153448457

IUPAC2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2C(=O)OCCOCCO)c(O)c1
InChIInChI=1S/C22H27NO6/c1-3-23(4-2)16-9-10-19(20(25)15-16)21(26)17-7-5-6-8-18(17)22(27)29-14-13-28-12-11-24/h5-10,15,24-25H,3-4,11-14H2,1-2H3
InChIKeyOGGVHKYPYMKMPS-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.64
Rot. Bonds11

About 2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate

2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate (PubChem CID 153448457) has the molecular formula C22H27NO6 and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
PubChem CID153448457
Molecular FormulaC22H27NO6
Molecular Weight401.46 g/mol
Exact Mass401.18
IUPAC Name2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2C(=O)OCCOCCO)c(O)c1
InChIInChI=1S/C22H27NO6/c1-3-23(4-2)16-9-10-19(20(25)15-16)21(26)17-7-5-6-8-18(17)22(27)29-14-13-28-12-11-24/h5-10,15,24-25H,3-4,11-14H2,1-2H3
InChIKeyOGGVHKYPYMKMPS-UHFFFAOYSA-N
XLogP2.64
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate (CID 153448457) is 2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate is CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)OCCOCCO)c(O)c1.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate?
The InChIKey is OGGVHKYPYMKMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6/c1-3-23(4-2)16-9-10-19(20(25)15-16)21(26)17-7-5-6-8-18(17)22(27)29-14-13-28-12-11-24/h5-10,15,24-25H,3-4,11-14H2,1-2H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate?
2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate has a molecular weight of 401.46 g/mol, XLogP of 2.64, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate is sourced from PubChem (CID 153448457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).