4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid

C12H14O5 — CID 107150454

IUPAC4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid
SMILESO=C(O)C1(OCCO)COCc2ccccc21
InChIInChI=1S/C12H14O5/c13-5-6-17-12(11(14)15)8-16-7-9-3-1-2-4-10(9)12/h1-4,13H,5-8H2,(H,14,15)
InChIKeyVIERWAPQSAELOD-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.51
Rot. Bonds4

About 4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid

4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid (PubChem CID 107150454) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid
PubChem CID107150454
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid
SMILESO=C(O)C1(OCCO)COCc2ccccc21
InChIInChI=1S/C12H14O5/c13-5-6-17-12(11(14)15)8-16-7-9-3-1-2-4-10(9)12/h1-4,13H,5-8H2,(H,14,15)
InChIKeyVIERWAPQSAELOD-UHFFFAOYSA-N
XLogP0.51
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carbonitrile
CID 107150380
4-(propylamino)-1,3-dihydroisochromene-4-carboxylic acid
CID 107149818
4-(phenylmethoxycarbonylamino)-1,3-dihydroisochromene-4-carboxylic acid
CID 107149890
2-chloro-N-[4-(hydroxymethyl)-1,3-dihydroisochromen-4-yl]acetamide
CID 122622134
4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid
CID 107150090
4-[acetyl(methyl)amino]-1,3-dihydroisochromene-4-carboxylic acid
CID 107149881
5-ethoxy-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 115590590
1-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 22367227
2-[4-(1-aminoethyl)-1,3-dihydroisochromen-4-yl]ethanol
CID 107150396
2-(2',5'-dioxospiro[1,3-dihydroisochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 107150042
[4-(2,2,2-trifluoroethylamino)-1,3-dihydroisochromen-4-yl]methanol
CID 107150102
1-fluoro-3H-2-benzofuran-1-carboxylic acid
CID 70573707

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid (CID 107150454) is 4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid is O=C(O)C1(OCCO)COCc2ccccc21.
What is the InChIKey of 4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid?
The InChIKey is VIERWAPQSAELOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c13-5-6-17-12(11(14)15)8-16-7-9-3-1-2-4-10(9)12/h1-4,13H,5-8H2,(H,14,15).
What are the key properties of 4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid?
4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid is sourced from PubChem (CID 107150454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).