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

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Related Compounds

4-methylidene-2,3-dihydrochromene-5,7-diol
CID 176717402
2,3-dihydro-1-benzofuran-4,6-diol;ethane
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benzene-1,2-diol;ethane;4,6,8-trihydroxy-3,4-dihydro-2H-1-benzoxepin-5-one
CID 142337135
5,6-dihydroxy-2,3-dihydrochromen-4-one
CID 91664860
6,7-dihydroxy-2,3-dihydrochromen-4-one
CID 23244452
5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol
CID 162376835
2,2-diethyl-5,7-dihydroxy-3H-chromen-4-one
CID 25094513
(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
CID 143810700
2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 11483087
benzene-1,2,3-triol;(3R)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 144974292
5-propan-2-yl-2,3-dihydrochromen-4-one
CID 131424256
2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetic acid
CID 14867667

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).