ethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate

C17H17NO3 — CID 893152

IUPACethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate
SMILESCCOC(=O)c1ccc(N2Cc3ccccc3C2)cc1O
InChIInChI=1S/C17H17NO3/c1-2-21-17(20)15-8-7-14(9-16(15)19)18-10-12-5-3-4-6-13(12)11-18/h3-9,19H,2,10-11H2,1H3
InChIKeyWPLWOPRDGUAPCR-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.09
Rot. Bonds3

About ethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate

ethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate (PubChem CID 893152) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate
PubChem CID893152
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate
SMILESCCOC(=O)c1ccc(N2Cc3ccccc3C2)cc1O
InChIInChI=1S/C17H17NO3/c1-2-21-17(20)15-8-7-14(9-16(15)19)18-10-12-5-3-4-6-13(12)11-18/h3-9,19H,2,10-11H2,1H3
InChIKeyWPLWOPRDGUAPCR-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate?
The IUPAC name of ethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate (CID 893152) is ethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate.
What is the SMILES notation for ethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate?
The canonical SMILES for ethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate is CCOC(=O)c1ccc(N2Cc3ccccc3C2)cc1O.
What is the InChIKey of ethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate?
The InChIKey is WPLWOPRDGUAPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-21-17(20)15-8-7-14(9-16(15)19)18-10-12-5-3-4-6-13(12)11-18/h3-9,19H,2,10-11H2,1H3.
What are the key properties of ethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate?
ethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate has a molecular weight of 283.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoate is sourced from PubChem (CID 893152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).