methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate

C10H11ClO3 — CID 15081586

IUPACmethyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
SMILESCOC(=O)C[C@@H](O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-5,9,12H,6H2,1H3/t9-/m1/s1
InChIKeyYVNZOWCPXSCKBU-SECBINFHSA-N
MW214.65 g/mol
LogP1.94
Rot. Bonds3

About methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate

methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate (PubChem CID 15081586) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
PubChem CID15081586
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Namemethyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
SMILESCOC(=O)C[C@@H](O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-5,9,12H,6H2,1H3/t9-/m1/s1
InChIKeyYVNZOWCPXSCKBU-SECBINFHSA-N
XLogP1.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(3-chlorophenyl)-3-hydroxypropanoate
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methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
CID 139647161
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
methyl 2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-(cyanomethyl)amino]acetate
CID 111757433
methyl (3S)-3-(3-chlorophenyl)-3-(4-methoxyanilino)propanoate
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CID 70472638

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate?
The IUPAC name of methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate (CID 15081586) is methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate.
What is the SMILES notation for methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate?
The canonical SMILES for methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate is COC(=O)C[C@@H](O)c1cccc(Cl)c1.
What is the InChIKey of methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate?
The InChIKey is YVNZOWCPXSCKBU-SECBINFHSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-5,9,12H,6H2,1H3/t9-/m1/s1.
What are the key properties of methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate?
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate has a molecular weight of 214.65 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate is sourced from PubChem (CID 15081586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).