2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone

C17H16O5 — CID 167556478

IUPAC2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccccc1O.O=C1CC(O)Oc2ccccc21
InChIInChI=1S/C9H8O3.C8H8O2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8;1-6(9)7-4-2-3-5-8(7)10/h1-4,9,11H,5H2;2-5,10H,1H3
InChIKeyDBQGXZJEALTQKJ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.57
Rot. Bonds1

About 2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone

2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone (PubChem CID 167556478) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone
PubChem CID167556478
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccccc1O.O=C1CC(O)Oc2ccccc21
InChIInChI=1S/C9H8O3.C8H8O2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8;1-6(9)7-4-2-3-5-8(7)10/h1-4,9,11H,5H2;2-5,10H,1H3
InChIKeyDBQGXZJEALTQKJ-UHFFFAOYSA-N
XLogP2.57
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
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CID 142100013
ethane;2-phenyl-2,3-dihydrochromen-4-one
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2-(1-hydroxypropan-2-yl)-2,3-dihydrochromen-4-one
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CID 2802466
2-(2-hydroxybutyl)-2,3-dihydrochromen-4-one
CID 23513119
2-(3-methylpentan-3-yl)-2,3-dihydrochromen-4-one
CID 86188407
(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one
CID 70503591
2-[(E)-but-2-enyl]-2,3-dihydrochromen-4-one
CID 19036544
2-benzyl-2,3-dihydrochromen-4-one
CID 14773508

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone?
The IUPAC name of 2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone (CID 167556478) is 2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone is CC(=O)c1ccccc1O.O=C1CC(O)Oc2ccccc21.
What is the InChIKey of 2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone?
The InChIKey is DBQGXZJEALTQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3.C8H8O2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8;1-6(9)7-4-2-3-5-8(7)10/h1-4,9,11H,5H2;2-5,10H,1H3.
What are the key properties of 2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone?
2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone has a molecular weight of 300.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,3-dihydrochromen-4-one;1-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 167556478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).