[2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride

C20H24ClNO5 — CID 168984736

IUPAC[2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1ccccc1OC(=O)c1ccccc1O.Cl
InChIInChI=1S/C20H23NO5.ClH/c1-3-21(4-2)13-14-25-19(23)16-10-6-8-12-18(16)26-20(24)15-9-5-7-11-17(15)22;/h5-12,22H,3-4,13-14H2,1-2H3;1H
InChIKeyUMQTXTBFPNQCPG-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.53
Rot. Bonds8

About [2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride

[2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride (PubChem CID 168984736) has the molecular formula C20H24ClNO5 and a molecular weight of 393.87 g/mol. Its IUPAC name is [2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride.

Molecular Properties

Compound Name[2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride
PubChem CID168984736
Molecular FormulaC20H24ClNO5
Molecular Weight393.87 g/mol
Exact Mass393.13
IUPAC Name[2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride
SMILESCCN(CC)CCOC(=O)c1ccccc1OC(=O)c1ccccc1O.Cl
InChIInChI=1S/C20H23NO5.ClH/c1-3-21(4-2)13-14-25-19(23)16-10-6-8-12-18(16)26-20(24)15-9-5-7-11-17(15)22;/h5-12,22H,3-4,13-14H2,1-2H3;1H
InChIKeyUMQTXTBFPNQCPG-UHFFFAOYSA-N
XLogP3.53
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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(2-butoxycarbonylphenyl) 2-hydroxybenzoate
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2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride
CID 54609530
2-(diethylamino)ethyl 4-aminobenzoate;2-hydroxybenzoic acid;urea
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ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
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bis[2-(diethylamino)ethyl] 3-aminobenzene-1,2-dicarboxylate
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[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate
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CID 11058

Frequently Asked Questions

What is the IUPAC name of [2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride?
The IUPAC name of [2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride (CID 168984736) is [2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride.
What is the SMILES notation for [2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride?
The canonical SMILES for [2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride is CCN(CC)CCOC(=O)c1ccccc1OC(=O)c1ccccc1O.Cl.
What is the InChIKey of [2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride?
The InChIKey is UMQTXTBFPNQCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5.ClH/c1-3-21(4-2)13-14-25-19(23)16-10-6-8-12-18(16)26-20(24)15-9-5-7-11-17(15)22;/h5-12,22H,3-4,13-14H2,1-2H3;1H.
What are the key properties of [2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride?
[2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride has a molecular weight of 393.87 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(diethylamino)ethoxycarbonyl]phenyl] 2-hydroxybenzoate;hydrochloride is sourced from PubChem (CID 168984736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).