[(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate

C16H24O4 — CID 163086397

IUPAC[(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate
SMILESCC[C@@H](C)C(=O)OC[C@](C)(OC)c1ccc(C)cc1O
InChIInChI=1S/C16H24O4/c1-6-12(3)15(18)20-10-16(4,19-5)13-8-7-11(2)9-14(13)17/h7-9,12,17H,6,10H2,1-5H3/t12-,16+/m1/s1
InChIKeyQREHUYSRIVVQLJ-WBMJQRKESA-N
MW280.36 g/mol
LogP3.15
Rot. Bonds6

About [(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate

[(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate (PubChem CID 163086397) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is [(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate.

Molecular Properties

Compound Name[(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate
PubChem CID163086397
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name[(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate
SMILESCC[C@@H](C)C(=O)OC[C@](C)(OC)c1ccc(C)cc1O
InChIInChI=1S/C16H24O4/c1-6-12(3)15(18)20-10-16(4,19-5)13-8-7-11(2)9-14(13)17/h7-9,12,17H,6,10H2,1-5H3/t12-,16+/m1/s1
InChIKeyQREHUYSRIVVQLJ-WBMJQRKESA-N
XLogP3.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate?
The IUPAC name of [(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate (CID 163086397) is [(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate.
What is the SMILES notation for [(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate?
The canonical SMILES for [(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate is CC[C@@H](C)C(=O)OC[C@](C)(OC)c1ccc(C)cc1O.
What is the InChIKey of [(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate?
The InChIKey is QREHUYSRIVVQLJ-WBMJQRKESA-N. The full InChI is InChI=1S/C16H24O4/c1-6-12(3)15(18)20-10-16(4,19-5)13-8-7-11(2)9-14(13)17/h7-9,12,17H,6,10H2,1-5H3/t12-,16+/m1/s1.
What are the key properties of [(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate?
[(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate has a molecular weight of 280.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] (2R)-2-methylbutanoate is sourced from PubChem (CID 163086397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).