[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate

C14H20O4 — CID 135065936

IUPAC[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
SMILESCOc1cccc([C@@H](O)COC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H20O4/c1-14(2,3)13(16)18-9-12(15)10-6-5-7-11(8-10)17-4/h5-8,12,15H,9H2,1-4H3/t12-/m0/s1
InChIKeyVVEXEFISLMLOFO-LBPRGKRZSA-N
MW252.31 g/mol
LogP2.32
Rot. Bonds4

About [(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate

[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate (PubChem CID 135065936) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
PubChem CID135065936
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
SMILESCOc1cccc([C@@H](O)COC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H20O4/c1-14(2,3)13(16)18-9-12(15)10-6-5-7-11(8-10)17-4/h5-8,12,15H,9H2,1-4H3/t12-/m0/s1
InChIKeyVVEXEFISLMLOFO-LBPRGKRZSA-N
XLogP2.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-cyanophenyl)-2-hydroxyethyl] 2,2-dimethylpropanoate
CID 101004424
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
CID 112588838
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone
CID 81133388
4-hydroxy-4-(3-methoxyphenyl)-2-methyl-2-(methylcarbamoyl)butanoic acid
CID 114900161
(2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide
CID 111750584
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
[1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid
CID 69108132

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate (CID 135065936) is [(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate is COc1cccc([C@@H](O)COC(=O)C(C)(C)C)c1.
What is the InChIKey of [(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate?
The InChIKey is VVEXEFISLMLOFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20O4/c1-14(2,3)13(16)18-9-12(15)10-6-5-7-11(8-10)17-4/h5-8,12,15H,9H2,1-4H3/t12-/m0/s1.
What are the key properties of [(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate?
[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate has a molecular weight of 252.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 135065936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).