5-(3-chloro-4-hydroxyphenyl)oxolan-2-one

C10H9ClO3 — CID 103439861

IUPAC5-(3-chloro-4-hydroxyphenyl)oxolan-2-one
SMILESO=C1CCC(c2ccc(O)c(Cl)c2)O1
InChIInChI=1S/C10H9ClO3/c11-7-5-6(1-2-8(7)12)9-3-4-10(13)14-9/h1-2,5,9,12H,3-4H2
InChIKeyKZGNCABFXCEVFN-UHFFFAOYSA-N
MW212.63 g/mol
LogP2.42
Rot. Bonds1

About 5-(3-chloro-4-hydroxyphenyl)oxolan-2-one

5-(3-chloro-4-hydroxyphenyl)oxolan-2-one (PubChem CID 103439861) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 5-(3-chloro-4-hydroxyphenyl)oxolan-2-one.

Molecular Properties

Compound Name5-(3-chloro-4-hydroxyphenyl)oxolan-2-one
PubChem CID103439861
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name5-(3-chloro-4-hydroxyphenyl)oxolan-2-one
SMILESO=C1CCC(c2ccc(O)c(Cl)c2)O1
InChIInChI=1S/C10H9ClO3/c11-7-5-6(1-2-8(7)12)9-3-4-10(13)14-9/h1-2,5,9,12H,3-4H2
InChIKeyKZGNCABFXCEVFN-UHFFFAOYSA-N
XLogP2.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-hydroxy-3-methylphenyl)oxolan-2-one
CID 130032868
2-(3-chloro-4-hydroxyphenyl)imidazolidin-4-one
CID 127013359
5-phenyloxolan-2-one
CID 13884
2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 102547393
5-(3,5-difluorophenyl)oxolan-2-one
CID 103689349
(5S)-5-(4-methoxyphenyl)oxolan-2-one
CID 12862881
5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one
CID 103439629
5-(2-chloro-5-nitrophenyl)oxolan-2-one
CID 90237929
2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyran
CID 56639300
2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110539671
(2R)-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 92852937
2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714106

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-hydroxyphenyl)oxolan-2-one?
The IUPAC name of 5-(3-chloro-4-hydroxyphenyl)oxolan-2-one (CID 103439861) is 5-(3-chloro-4-hydroxyphenyl)oxolan-2-one.
What is the SMILES notation for 5-(3-chloro-4-hydroxyphenyl)oxolan-2-one?
The canonical SMILES for 5-(3-chloro-4-hydroxyphenyl)oxolan-2-one is O=C1CCC(c2ccc(O)c(Cl)c2)O1.
What is the InChIKey of 5-(3-chloro-4-hydroxyphenyl)oxolan-2-one?
The InChIKey is KZGNCABFXCEVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c11-7-5-6(1-2-8(7)12)9-3-4-10(13)14-9/h1-2,5,9,12H,3-4H2.
What are the key properties of 5-(3-chloro-4-hydroxyphenyl)oxolan-2-one?
5-(3-chloro-4-hydroxyphenyl)oxolan-2-one has a molecular weight of 212.63 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-hydroxyphenyl)oxolan-2-one is sourced from PubChem (CID 103439861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).