methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate

C16H22O3 — CID 15519738

IUPACmethyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate
SMILESCOC(=O)c1ccc(O)c([C@@]2(C)CCCC2(C)C)c1
InChIInChI=1S/C16H22O3/c1-15(2)8-5-9-16(15,3)12-10-11(14(18)19-4)6-7-13(12)17/h6-7,10,17H,5,8-9H2,1-4H3/t16-/m1/s1
InChIKeyOZUSKNVBEXWWEN-MRXNPFEDSA-N
MW262.35 g/mol
LogP3.65
Rot. Bonds2

About methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate

methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate (PubChem CID 15519738) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate
PubChem CID15519738
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Namemethyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate
SMILESCOC(=O)c1ccc(O)c([C@@]2(C)CCCC2(C)C)c1
InChIInChI=1S/C16H22O3/c1-15(2)8-5-9-16(15,3)12-10-11(14(18)19-4)6-7-13(12)17/h6-7,10,17H,5,8-9H2,1-4H3/t16-/m1/s1
InChIKeyOZUSKNVBEXWWEN-MRXNPFEDSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate 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 methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate?
The IUPAC name of methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate (CID 15519738) is methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate.
What is the SMILES notation for methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate?
The canonical SMILES for methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate is COC(=O)c1ccc(O)c([C@@]2(C)CCCC2(C)C)c1.
What is the InChIKey of methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate?
The InChIKey is OZUSKNVBEXWWEN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22O3/c1-15(2)8-5-9-16(15,3)12-10-11(14(18)19-4)6-7-13(12)17/h6-7,10,17H,5,8-9H2,1-4H3/t16-/m1/s1.
What are the key properties of methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate?
methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate has a molecular weight of 262.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzoate is sourced from PubChem (CID 15519738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).