3-(3-chlorophenyl)-3-hydroxypropanoate

C9H8ClO3- — CID 19770450

IUPAC3-(3-chlorophenyl)-3-hydroxypropanoate
SMILESO=C([O-])CC(O)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClO3/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)/p-1
InChIKeySUGIWOQOKKWXRH-UHFFFAOYSA-M
MW199.61 g/mol
LogP0.51
Rot. Bonds3

About 3-(3-chlorophenyl)-3-hydroxypropanoate

3-(3-chlorophenyl)-3-hydroxypropanoate (PubChem CID 19770450) has the molecular formula C9H8ClO3- and a molecular weight of 199.61 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-hydroxypropanoate.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-hydroxypropanoate
PubChem CID19770450
Molecular FormulaC9H8ClO3-
Molecular Weight199.61 g/mol
Exact Mass199.02
IUPAC Name3-(3-chlorophenyl)-3-hydroxypropanoate
SMILESO=C([O-])CC(O)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClO3/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)/p-1
InChIKeySUGIWOQOKKWXRH-UHFFFAOYSA-M
XLogP0.51
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.61
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(3-chlorophenyl)propanoate
CID 22608540
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
(1R)-1-(3-chlorophenyl)-2-(4-nitropyrazol-1-yl)ethanol
CID 97327173
(3-chlorophenyl)methanediol
CID 20679602
3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770439
3-(3-chlorophenyl)-3-hydroxypropanenitrile
CID 13004554
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725997
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide
CID 119719419

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-hydroxypropanoate?
The IUPAC name of 3-(3-chlorophenyl)-3-hydroxypropanoate (CID 19770450) is 3-(3-chlorophenyl)-3-hydroxypropanoate.
What is the SMILES notation for 3-(3-chlorophenyl)-3-hydroxypropanoate?
The canonical SMILES for 3-(3-chlorophenyl)-3-hydroxypropanoate is O=C([O-])CC(O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-3-hydroxypropanoate?
The InChIKey is SUGIWOQOKKWXRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9ClO3/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)/p-1.
What are the key properties of 3-(3-chlorophenyl)-3-hydroxypropanoate?
3-(3-chlorophenyl)-3-hydroxypropanoate has a molecular weight of 199.61 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-hydroxypropanoate is sourced from PubChem (CID 19770450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).