benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one

C15H14O4 — CID 143992142

IUPACbenzene;5,7-dihydroxy-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(O)cc(O)c21.c1ccccc1
InChIInChI=1S/C9H8O4.C6H6/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5;1-2-4-6-5-3-1/h3-4,10,12H,1-2H2;1-6H
InChIKeyVXVOMLQZMZVNQG-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.75
Rot. Bonds

About benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one

benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one (PubChem CID 143992142) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Namebenzene;5,7-dihydroxy-2,3-dihydrochromen-4-one
PubChem CID143992142
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Namebenzene;5,7-dihydroxy-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(O)cc(O)c21.c1ccccc1
InChIInChI=1S/C9H8O4.C6H6/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5;1-2-4-6-5-3-1/h3-4,10,12H,1-2H2;1-6H
InChIKeyVXVOMLQZMZVNQG-UHFFFAOYSA-N
XLogP2.75
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one 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 benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one?
The IUPAC name of benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one (CID 143992142) is benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one?
The canonical SMILES for benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one is O=C1CCOc2cc(O)cc(O)c21.c1ccccc1.
What is the InChIKey of benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one?
The InChIKey is VXVOMLQZMZVNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4.C6H6/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5;1-2-4-6-5-3-1/h3-4,10,12H,1-2H2;1-6H.
What are the key properties of benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one?
benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one has a molecular weight of 258.27 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;5,7-dihydroxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 143992142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).