4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol

C15H14O4 — CID 52941222

IUPAC4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol
SMILESOc1ccc2c(c1)OCC(c1ccc(O)c(O)c1)C2
InChIInChI=1S/C15H14O4/c16-12-3-1-10-5-11(8-19-15(10)7-12)9-2-4-13(17)14(18)6-9/h1-4,6-7,11,16-18H,5,8H2
InChIKeyBXUZHRKORIBRMQ-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.52
Rot. Bonds1

About 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol

4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol (PubChem CID 52941222) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol
PubChem CID52941222
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol
SMILESOc1ccc2c(c1)OCC(c1ccc(O)c(O)c1)C2
InChIInChI=1S/C15H14O4/c16-12-3-1-10-5-11(8-19-15(10)7-12)9-2-4-13(17)14(18)6-9/h1-4,6-7,11,16-18H,5,8H2
InChIKeyBXUZHRKORIBRMQ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol?
The IUPAC name of 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol (CID 52941222) is 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol?
The canonical SMILES for 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol is Oc1ccc2c(c1)OCC(c1ccc(O)c(O)c1)C2.
What is the InChIKey of 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol?
The InChIKey is BXUZHRKORIBRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-12-3-1-10-5-11(8-19-15(10)7-12)9-2-4-13(17)14(18)6-9/h1-4,6-7,11,16-18H,5,8H2.
What are the key properties of 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol?
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol has a molecular weight of 258.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol is sourced from PubChem (CID 52941222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).