ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate

C18H20O3 — CID 155818764

IUPACethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate
SMILESCCOC(=O)[C@](C)(CO)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H20O3/c1-3-21-17(20)18(2,13-19)16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-12,19H,3,13H2,1-2H3/t18-/m1/s1
InChIKeyWYIKYGHCUHZESP-GOSISDBHSA-N
MW284.36 g/mol
LogP3.17
Rot. Bonds5

About ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate

ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate (PubChem CID 155818764) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate
PubChem CID155818764
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Nameethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate
SMILESCCOC(=O)[C@](C)(CO)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H20O3/c1-3-21-17(20)18(2,13-19)16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-12,19H,3,13H2,1-2H3/t18-/m1/s1
InChIKeyWYIKYGHCUHZESP-GOSISDBHSA-N
XLogP3.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate
CID 57419846
ethyl 4-hydroxy-2-methyl-2-(3-methylphenyl)butanoate
CID 117049965
ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate
CID 19091445
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
3-methyl-3-(3-phenylphenyl)butanoic acid
CID 117389329
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate
CID 117049798
ethyl 2-methyl-2-phenyl-5-[4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 91108888
ethyl 3-cyano-2-methyl-2-(3-methylphenyl)propanoate
CID 117049503
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
ethyl 6-iodo-2-methyl-2-phenylhexanoate
CID 142212090
ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate
CID 117049814

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate?
The IUPAC name of ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate (CID 155818764) is ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate.
What is the SMILES notation for ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate?
The canonical SMILES for ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate is CCOC(=O)[C@](C)(CO)c1cccc(-c2ccccc2)c1.
What is the InChIKey of ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate?
The InChIKey is WYIKYGHCUHZESP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-21-17(20)18(2,13-19)16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-12,19H,3,13H2,1-2H3/t18-/m1/s1.
What are the key properties of ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate?
ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate has a molecular weight of 284.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate is sourced from PubChem (CID 155818764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).