8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one

C15H12O4 — CID 163076287

IUPAC8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one
SMILESO=C1OCC(c2ccc(O)cc2)c2cccc(O)c21
InChIInChI=1S/C15H12O4/c16-10-6-4-9(5-7-10)12-8-19-15(18)14-11(12)2-1-3-13(14)17/h1-7,12,16-17H,8H2
InChIKeyNYJJDXBMMCNAFN-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.40
Rot. Bonds1

About 8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one

8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one (PubChem CID 163076287) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one
PubChem CID163076287
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one
SMILESO=C1OCC(c2ccc(O)cc2)c2cccc(O)c21
InChIInChI=1S/C15H12O4/c16-10-6-4-9(5-7-10)12-8-19-15(18)14-11(12)2-1-3-13(14)17/h1-7,12,16-17H,8H2
InChIKeyNYJJDXBMMCNAFN-UHFFFAOYSA-N
XLogP2.40
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(1aS,7aR)-3-hydroxy-6-[(1R)-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one?
The IUPAC name of 8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one (CID 163076287) is 8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one?
The canonical SMILES for 8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one is O=C1OCC(c2ccc(O)cc2)c2cccc(O)c21.
What is the InChIKey of 8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one?
The InChIKey is NYJJDXBMMCNAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-10-6-4-9(5-7-10)12-8-19-15(18)14-11(12)2-1-3-13(14)17/h1-7,12,16-17H,8H2.
What are the key properties of 8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one?
8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one has a molecular weight of 256.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 163076287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).