4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid

C15H13NO3 — CID 774836

IUPAC4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(N2Cc3ccccc3C2)cc1O
InChIInChI=1S/C15H13NO3/c17-14-7-12(5-6-13(14)15(18)19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17H,8-9H2,(H,18,19)
InChIKeyDFOUMKWDEKEKKG-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.61
Rot. Bonds2

About 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid

4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid (PubChem CID 774836) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid
PubChem CID774836
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(N2Cc3ccccc3C2)cc1O
InChIInChI=1S/C15H13NO3/c17-14-7-12(5-6-13(14)15(18)19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17H,8-9H2,(H,18,19)
InChIKeyDFOUMKWDEKEKKG-UHFFFAOYSA-N
XLogP2.61
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid (CID 774836) is 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid is O=C(O)c1ccc(N2Cc3ccccc3C2)cc1O.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid?
The InChIKey is DFOUMKWDEKEKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14-7-12(5-6-13(14)15(18)19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17H,8-9H2,(H,18,19).
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid?
4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 774836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).