tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate

C15H21ClO3 — CID 66338727

IUPACtert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate
SMILESCC(C(=O)OC(C)(C)C)C(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClO3/c1-10(13(17)19-14(2,3)4)15(5,18)11-7-6-8-12(16)9-11/h6-10,18H,1-5H3
InChIKeyQUKIPRICHBQGSJ-UHFFFAOYSA-N
MW284.78 g/mol
LogP3.53
Rot. Bonds3

About tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate

tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate (PubChem CID 66338727) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate.

Molecular Properties

Compound Nametert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate
PubChem CID66338727
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Nametert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate
SMILESCC(C(=O)OC(C)(C)C)C(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClO3/c1-10(13(17)19-14(2,3)4)15(5,18)11-7-6-8-12(16)9-11/h6-10,18H,1-5H3
InChIKeyQUKIPRICHBQGSJ-UHFFFAOYSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(3-chlorophenyl)-3-hydroxy-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

Related Compounds

tert-butyl 3-(3,4-dimethylphenyl)-3-hydroxy-2-methylbutanoate
CID 66337269
tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride
CID 138401045
ethyl 2-[1-(3-chlorophenyl)-1-hydroxyethyl]pentanoate
CID 83042781
ethyl 2-(3-chlorophenyl)-2,3-dimethylbutanoate
CID 117047944
methyl (2R)-2-[1-(3-chlorophenyl)-1-hydroxyethyl]but-3-enoate
CID 134979501
1-chloro-3-(2,3-dimethylbutan-2-yl)benzene
CID 118359606
methyl 3-(3-chloro-4-fluorophenyl)-3-hydroxy-2-methylbutanoate
CID 55071407
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
2-(3-chlorophenyl)-3-methylhexan-2-ol
CID 107892502
2-[amino-(3-chlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 53445020
3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943
tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate
CID 66337083

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate?
The IUPAC name of tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate (CID 66338727) is tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate.
What is the SMILES notation for tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate?
The canonical SMILES for tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate is CC(C(=O)OC(C)(C)C)C(C)(O)c1cccc(Cl)c1.
What is the InChIKey of tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate?
The InChIKey is QUKIPRICHBQGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-10(13(17)19-14(2,3)4)15(5,18)11-7-6-8-12(16)9-11/h6-10,18H,1-5H3.
What are the key properties of tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate?
tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate has a molecular weight of 284.78 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate is sourced from PubChem (CID 66338727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).