5-hydroxychromen-2-one

C9H6O3 — CID 5318179

IUPAC5-hydroxychromen-2-one
SMILESO=c1ccc2c(O)cccc2o1
InChIInChI=1S/C9H6O3/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5,10H
InChIKeyCDHSCTCRBLLCBJ-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.50
Rot. Bonds

About 5-hydroxychromen-2-one

5-hydroxychromen-2-one (PubChem CID 5318179) has the molecular formula C9H6O3 and a molecular weight of 162.14 g/mol. Its IUPAC name is 5-hydroxychromen-2-one.

Molecular Properties

Compound Name5-hydroxychromen-2-one
PubChem CID5318179
Molecular FormulaC9H6O3
Molecular Weight162.14 g/mol
Exact Mass162.03
IUPAC Name5-hydroxychromen-2-one
SMILESO=c1ccc2c(O)cccc2o1
InChIInChI=1S/C9H6O3/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5,10H
InChIKeyCDHSCTCRBLLCBJ-UHFFFAOYSA-N
XLogP1.50
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

5-phenylchromen-2-one
CID 90255348
(2-oxochromen-5-yl) acetate
CID 12853206
5-hydroxy-2-oxochromene-3-carboxylic acid
CID 91664855
6,7-dihydroxychromen-2-one
CID 5281416
5-triethylsilylchromen-2-one
CID 90255583
6,7-dihydroxychromen-2-one;phosphane
CID 175526881
phenyl 2-oxochromene-5-carboxylate
CID 90255514
4-hydroxy-1-benzofuran-2-sulfonyl chloride
CID 83895345
4-(4-hydroxyphenyl)chromen-2-one
CID 87209427
4,8-dihydroxychromen-2-one
CID 54719604
chromen-2-one;copper
CID 175033656
1-hydroxy-6-methylxanthen-9-one
CID 13031893

Frequently Asked Questions

What is the IUPAC name of 5-hydroxychromen-2-one?
The IUPAC name of 5-hydroxychromen-2-one (CID 5318179) is 5-hydroxychromen-2-one.
What is the SMILES notation for 5-hydroxychromen-2-one?
The canonical SMILES for 5-hydroxychromen-2-one is O=c1ccc2c(O)cccc2o1.
What is the InChIKey of 5-hydroxychromen-2-one?
The InChIKey is CDHSCTCRBLLCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5,10H.
What are the key properties of 5-hydroxychromen-2-one?
5-hydroxychromen-2-one has a molecular weight of 162.14 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxychromen-2-one is sourced from PubChem (CID 5318179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).