1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol

C15H14O4 — CID 15531045

IUPAC1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol
SMILESOc1cc2c(cc1O)C(c1ccccc1O)OCC2
InChIInChI=1S/C15H14O4/c16-12-4-2-1-3-10(12)15-11-8-14(18)13(17)7-9(11)5-6-19-15/h1-4,7-8,15-18H,5-6H2
InChIKeyKRSZVPRPDCIJGP-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.47
Rot. Bonds1

About 1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol

1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol (PubChem CID 15531045) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol
PubChem CID15531045
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol
SMILESOc1cc2c(cc1O)C(c1ccccc1O)OCC2
InChIInChI=1S/C15H14O4/c16-12-4-2-1-3-10(12)15-11-8-14(18)13(17)7-9(11)5-6-19-15/h1-4,7-8,15-18H,5-6H2
InChIKeyKRSZVPRPDCIJGP-UHFFFAOYSA-N
XLogP2.47
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol?
The IUPAC name of 1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol (CID 15531045) is 1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol?
The canonical SMILES for 1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol is Oc1cc2c(cc1O)C(c1ccccc1O)OCC2.
What is the InChIKey of 1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol?
The InChIKey is KRSZVPRPDCIJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-12-4-2-1-3-10(12)15-11-8-14(18)13(17)7-9(11)5-6-19-15/h1-4,7-8,15-18H,5-6H2.
What are the key properties of 1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol?
1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol has a molecular weight of 258.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol is sourced from PubChem (CID 15531045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).