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

C10H10Cl2O3 — CID 19770432

IUPACmethyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate
SMILESCOC(=O)CC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2O3/c1-15-9(14)5-8(13)6-3-2-4-7(11)10(6)12/h2-4,8,13H,5H2,1H3
InChIKeyYRLSCTGTLUIPPB-UHFFFAOYSA-N
MW249.09 g/mol
LogP2.59
Rot. Bonds3

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

methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate (PubChem CID 19770432) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate
PubChem CID19770432
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Namemethyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate
SMILESCOC(=O)CC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2O3/c1-15-9(14)5-8(13)6-3-2-4-7(11)10(6)12/h2-4,8,13H,5H2,1H3
InChIKeyYRLSCTGTLUIPPB-UHFFFAOYSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770439
4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide
CID 174755418
1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927602
tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate
CID 66635361
methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride
CID 54593844
ethane;methyl 3-hydroxy-3-(2-methylphenyl)propanoate
CID 144861707
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
2-[[(1S)-1-(2,3-dichlorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]cyclohexene-1-carboxylic acid
CID 7296990
2-[[(1R)-1-(2,3-dichlorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]cyclohexene-1-carboxylic acid
CID 7296993
methyl 3-(2,3-dichlorophenyl)-3-oxopropanoate
CID 19088196
methyl 2-acetyl-3-(2,3-dichlorophenyl)-5-oxohexanoate
CID 70890943

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate?
The IUPAC name of methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate (CID 19770432) is methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate.
What is the SMILES notation for methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate?
The canonical SMILES for methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate is COC(=O)CC(O)c1cccc(Cl)c1Cl.
What is the InChIKey of methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate?
The InChIKey is YRLSCTGTLUIPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-15-9(14)5-8(13)6-3-2-4-7(11)10(6)12/h2-4,8,13H,5H2,1H3.
What are the key properties of methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate?
methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate has a molecular weight of 249.09 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate is sourced from PubChem (CID 19770432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).