benzene;3-hydroxychromen-4-one

C15H12O3 — CID 175480795

IUPACbenzene;3-hydroxychromen-4-one
SMILESO=c1c(O)coc2ccccc12.c1ccccc1
InChIInChI=1S/C9H6O3.C6H6/c10-7-5-12-8-4-2-1-3-6(8)9(7)11;1-2-4-6-5-3-1/h1-5,10H;1-6H
InChIKeyCYAIDLKBGGZQJC-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.19
Rot. Bonds

About benzene;3-hydroxychromen-4-one

benzene;3-hydroxychromen-4-one (PubChem CID 175480795) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is benzene;3-hydroxychromen-4-one.

Molecular Properties

Compound Namebenzene;3-hydroxychromen-4-one
PubChem CID175480795
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Namebenzene;3-hydroxychromen-4-one
SMILESO=c1c(O)coc2ccccc12.c1ccccc1
InChIInChI=1S/C9H6O3.C6H6/c10-7-5-12-8-4-2-1-3-6(8)9(7)11;1-2-4-6-5-3-1/h1-5,10H;1-6H
InChIKeyCYAIDLKBGGZQJC-UHFFFAOYSA-N
XLogP3.19
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-3-ol;methane
CID 175138306
CID 143974471
CID 143974471
3-phenylchromen-4-one;phosphane
CID 174413449
ethane;3-phenylchromen-4-one
CID 90946880
6-amino-3-hydroxychromen-4-one
CID 142653989
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]chromen-4-one
CID 102368296
3-hydroxy-6-[2-(4-methylphenyl)ethyl]chromen-4-one
CID 141286968
3-pyrazol-1-ylchromen-4-one
CID 56996312
3-(2-aminoethyl)chromen-4-one
CID 55212083
2-hydroxy-4-[(4-oxochromen-3-yl)methylideneamino]benzoic acid
CID 101100749
amino formate;3-phenylchromen-4-one
CID 174767747

Frequently Asked Questions

What is the IUPAC name of benzene;3-hydroxychromen-4-one?
The IUPAC name of benzene;3-hydroxychromen-4-one (CID 175480795) is benzene;3-hydroxychromen-4-one.
What is the SMILES notation for benzene;3-hydroxychromen-4-one?
The canonical SMILES for benzene;3-hydroxychromen-4-one is O=c1c(O)coc2ccccc12.c1ccccc1.
What is the InChIKey of benzene;3-hydroxychromen-4-one?
The InChIKey is CYAIDLKBGGZQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3.C6H6/c10-7-5-12-8-4-2-1-3-6(8)9(7)11;1-2-4-6-5-3-1/h1-5,10H;1-6H.
What are the key properties of benzene;3-hydroxychromen-4-one?
benzene;3-hydroxychromen-4-one has a molecular weight of 240.26 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-hydroxychromen-4-one is sourced from PubChem (CID 175480795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).