methyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate

C19H23NO4 — CID 44586774

IUPACmethyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(CCc2cc(OC)ccc2N(C)C)ccc1O
InChIInChI=1S/C19H23NO4/c1-20(2)17-9-8-15(23-3)12-14(17)7-5-13-6-10-18(21)16(11-13)19(22)24-4/h6,8-12,21H,5,7H2,1-4H3
InChIKeyHVASVAUYMLOTIQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.04
Rot. Bonds6

About methyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate

methyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate (PubChem CID 44586774) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate
PubChem CID44586774
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namemethyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(CCc2cc(OC)ccc2N(C)C)ccc1O
InChIInChI=1S/C19H23NO4/c1-20(2)17-9-8-15(23-3)12-14(17)7-5-13-6-10-18(21)16(11-13)19(22)24-4/h6,8-12,21H,5,7H2,1-4H3
InChIKeyHVASVAUYMLOTIQ-UHFFFAOYSA-N
XLogP3.04
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate (CID 44586774) is methyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate is COC(=O)c1cc(CCc2cc(OC)ccc2N(C)C)ccc1O.
What is the InChIKey of methyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate?
The InChIKey is HVASVAUYMLOTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-20(2)17-9-8-15(23-3)12-14(17)7-5-13-6-10-18(21)16(11-13)19(22)24-4/h6,8-12,21H,5,7H2,1-4H3.
What are the key properties of methyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate?
methyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate has a molecular weight of 329.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[2-(dimethylamino)-5-methoxyphenyl]ethyl]-2-hydroxybenzoate is sourced from PubChem (CID 44586774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).