3-(2,3-dichlorophenyl)-3-hydroxypropanoate

C9H7Cl2O3- — CID 19770439

IUPAC3-(2,3-dichlorophenyl)-3-hydroxypropanoate
SMILESO=C([O-])CC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2O3/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7,12H,4H2,(H,13,14)/p-1
InChIKeyZNQXAYUXBZHMAU-UHFFFAOYSA-M
MW234.06 g/mol
LogP1.17
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-3-hydroxypropanoate

3-(2,3-dichlorophenyl)-3-hydroxypropanoate (PubChem CID 19770439) has the molecular formula C9H7Cl2O3- and a molecular weight of 234.06 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-3-hydroxypropanoate.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-3-hydroxypropanoate
PubChem CID19770439
Molecular FormulaC9H7Cl2O3-
Molecular Weight234.06 g/mol
Exact Mass232.98
IUPAC Name3-(2,3-dichlorophenyl)-3-hydroxypropanoate
SMILESO=C([O-])CC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2O3/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7,12H,4H2,(H,13,14)/p-1
InChIKeyZNQXAYUXBZHMAU-UHFFFAOYSA-M
XLogP1.17
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.06
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770432
4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide
CID 174755418
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
3-(2,3-difluorophenyl)-3-hydroxypropanoate
CID 19770355
(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
CID 29060246
3-(3-chlorophenyl)-3-hydroxypropanoate
CID 19770450
(1R)-1-(2,3-dichlorophenyl)-2-pyridin-4-ylethanol
CID 129368105
1-(2,3-dichlorophenyl)-2-(4-methylphenyl)ethanol
CID 62790994
(3R)-3-(2,3-dichlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate
CID 7062338
tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate
CID 66635361
1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927602

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-3-hydroxypropanoate?
The IUPAC name of 3-(2,3-dichlorophenyl)-3-hydroxypropanoate (CID 19770439) is 3-(2,3-dichlorophenyl)-3-hydroxypropanoate.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-3-hydroxypropanoate?
The canonical SMILES for 3-(2,3-dichlorophenyl)-3-hydroxypropanoate is O=C([O-])CC(O)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-3-hydroxypropanoate?
The InChIKey is ZNQXAYUXBZHMAU-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8Cl2O3/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7,12H,4H2,(H,13,14)/p-1.
What are the key properties of 3-(2,3-dichlorophenyl)-3-hydroxypropanoate?
3-(2,3-dichlorophenyl)-3-hydroxypropanoate has a molecular weight of 234.06 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-3-hydroxypropanoate is sourced from PubChem (CID 19770439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).