methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride

C11H15ClO3 — CID 54593844

IUPACmethyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](O)c1ccccc1C.Cl
InChIInChI=1S/C11H14O3.ClH/c1-8-5-3-4-6-9(8)10(12)7-11(13)14-2;/h3-6,10,12H,7H2,1-2H3;1H/t10-;/m1./s1
InChIKeyUOYAMVRQGQRHGD-HNCPQSOCSA-N
MW230.69 g/mol
LogP2.01
Rot. Bonds3

About methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride

methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride (PubChem CID 54593844) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride
PubChem CID54593844
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Namemethyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](O)c1ccccc1C.Cl
InChIInChI=1S/C11H14O3.ClH/c1-8-5-3-4-6-9(8)10(12)7-11(13)14-2;/h3-6,10,12H,7H2,1-2H3;1H/t10-;/m1./s1
InChIKeyUOYAMVRQGQRHGD-HNCPQSOCSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 3-hydroxy-3-(2-methylphenyl)propanoate
CID 144861707
ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate
CID 64540717
methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770432
methyl (3S)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
CID 171243191
methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
CID 171249924
methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate
CID 15081579
methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
CID 11183417
methyl (3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoate
CID 102175267

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride (CID 54593844) is methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride is COC(=O)C[C@@H](O)c1ccccc1C.Cl.
What is the InChIKey of methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride?
The InChIKey is UOYAMVRQGQRHGD-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H14O3.ClH/c1-8-5-3-4-6-9(8)10(12)7-11(13)14-2;/h3-6,10,12H,7H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride?
methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride is sourced from PubChem (CID 54593844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).