2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid

C11H9ClO5 — CID 102547393

IUPAC2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid
SMILESO=C1CC(C(=O)O)C(c2ccc(O)c(Cl)c2)O1
InChIInChI=1S/C11H9ClO5/c12-7-3-5(1-2-8(7)13)10-6(11(15)16)4-9(14)17-10/h1-3,6,10,13H,4H2,(H,15,16)
InChIKeyWHMWWFZRSMYFFA-UHFFFAOYSA-N
MW256.64 g/mol
LogP1.73
Rot. Bonds2

About 2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid

2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid (PubChem CID 102547393) has the molecular formula C11H9ClO5 and a molecular weight of 256.64 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid
PubChem CID102547393
Molecular FormulaC11H9ClO5
Molecular Weight256.64 g/mol
Exact Mass256.01
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid
SMILESO=C1CC(C(=O)O)C(c2ccc(O)c(Cl)c2)O1
InChIInChI=1S/C11H9ClO5/c12-7-3-5(1-2-8(7)13)10-6(11(15)16)4-9(14)17-10/h1-3,6,10,13H,4H2,(H,15,16)
InChIKeyWHMWWFZRSMYFFA-UHFFFAOYSA-N
XLogP1.73
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[Acetyloxy-[3-chloro-4-(difluoromethoxy)phenyl]methyl]prop-2-enoic acid
CID 129247351
Ethyl 3-(3-chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoate
CID 62398174
3-(3-Chloro-4-hydroxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid
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Ethyl 3-(3-chloro-4-methoxyphenyl)-2,2-difluoro-3-hydroxypropanoate
CID 65026264
3-(3-Chloro-4-methoxyphenyl)-2,2-difluoro-3-hydroxypropanoic acid
CID 65026377
3-(3-Chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoic acid
CID 79366359
Ethyl 3-(3-chloro-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoate
CID 79366466
3-(3-Chloro-4-hydroxyphenyl)-2-fluoro-3-hydroxypropanoic acid
CID 79366619
Ethyl 3-(3-chloro-4-hydroxyphenyl)-2-fluoro-3-hydroxypropanoate
CID 79367010
Ethyl 3-[3-Chloro-4-(trifluoromethoxy)phenyl]-3-hydroxypropanoate
CID 168485627
4-Prop-2-enoyloxybutyl 3-chloro-4-hydroxybenzoate
CID 22605104
3-Prop-2-enoyloxypropyl 3-chloro-4-hydroxybenzoate
CID 22605106

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid (CID 102547393) is 2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid is O=C1CC(C(=O)O)C(c2ccc(O)c(Cl)c2)O1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid?
The InChIKey is WHMWWFZRSMYFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO5/c12-7-3-5(1-2-8(7)13)10-6(11(15)16)4-9(14)17-10/h1-3,6,10,13H,4H2,(H,15,16).
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid?
2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid has a molecular weight of 256.64 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 102547393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).