methyl 4-(diethylamino)-2-hydroxybenzoate

C12H17NO3 — CID 18402115

IUPACmethyl 4-(diethylamino)-2-hydroxybenzoate
SMILESCCN(CC)c1ccc(C(=O)OC)c(O)c1
InChIInChI=1S/C12H17NO3/c1-4-13(5-2)9-6-7-10(11(14)8-9)12(15)16-3/h6-8,14H,4-5H2,1-3H3
InChIKeyXPNHEPKQFKLZHY-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.03
Rot. Bonds4

About methyl 4-(diethylamino)-2-hydroxybenzoate

methyl 4-(diethylamino)-2-hydroxybenzoate (PubChem CID 18402115) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 4-(diethylamino)-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-(diethylamino)-2-hydroxybenzoate
PubChem CID18402115
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 4-(diethylamino)-2-hydroxybenzoate
SMILESCCN(CC)c1ccc(C(=O)OC)c(O)c1
InChIInChI=1S/C12H17NO3/c1-4-13(5-2)9-6-7-10(11(14)8-9)12(15)16-3/h6-8,14H,4-5H2,1-3H3
InChIKeyXPNHEPKQFKLZHY-UHFFFAOYSA-N
XLogP2.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(diethylamino)-2-hydroxybenzoate?
The IUPAC name of methyl 4-(diethylamino)-2-hydroxybenzoate (CID 18402115) is methyl 4-(diethylamino)-2-hydroxybenzoate.
What is the SMILES notation for methyl 4-(diethylamino)-2-hydroxybenzoate?
The canonical SMILES for methyl 4-(diethylamino)-2-hydroxybenzoate is CCN(CC)c1ccc(C(=O)OC)c(O)c1.
What is the InChIKey of methyl 4-(diethylamino)-2-hydroxybenzoate?
The InChIKey is XPNHEPKQFKLZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-13(5-2)9-6-7-10(11(14)8-9)12(15)16-3/h6-8,14H,4-5H2,1-3H3.
What are the key properties of methyl 4-(diethylamino)-2-hydroxybenzoate?
methyl 4-(diethylamino)-2-hydroxybenzoate has a molecular weight of 223.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(diethylamino)-2-hydroxybenzoate is sourced from PubChem (CID 18402115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).