methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate

C15H22O4 — CID 62395794

IUPACmethyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate
SMILESCOC(=O)C(C(C)C)C(C)(O)c1ccc(OC)cc1
InChIInChI=1S/C15H22O4/c1-10(2)13(14(16)19-5)15(3,17)11-6-8-12(18-4)9-7-11/h6-10,13,17H,1-5H3
InChIKeyWRKKXGRHRNATNT-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.35
Rot. Bonds5

About methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate

methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate (PubChem CID 62395794) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate
PubChem CID62395794
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate
SMILESCOC(=O)C(C(C)C)C(C)(O)c1ccc(OC)cc1
InChIInChI=1S/C15H22O4/c1-10(2)13(14(16)19-5)15(3,17)11-6-8-12(18-4)9-7-11/h6-10,13,17H,1-5H3
InChIKeyWRKKXGRHRNATNT-UHFFFAOYSA-N
XLogP2.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-hydroxy-3-[4-(2-methylpropyl)phenyl]-2-propan-2-ylbutanoate
CID 62395639
methyl 3-(3,4-dimethylphenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62395949
methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62395777
methyl 2-[hydroxy-(4-methoxyphenyl)methyl]-3-methylbutanoate
CID 55071608
methyl 4-[1,2-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]benzoate
CID 177460702
tert-butyl N-[(2S)-1-hydroxy-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]carbamate
CID 10070458
methyl (2R,3R)-4,4,4-trifluoro-2-formamido-3-hydroxy-3-(4-methoxyphenyl)butanoate
CID 736704
ethyl 3-hydroxy-4-(4-methoxyphenyl)-3-methyl-2-propan-2-ylbutanoate
CID 63271146
N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7057020
methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 60786327
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate?
The IUPAC name of methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate (CID 62395794) is methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate.
What is the SMILES notation for methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate?
The canonical SMILES for methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate is COC(=O)C(C(C)C)C(C)(O)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate?
The InChIKey is WRKKXGRHRNATNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-10(2)13(14(16)19-5)15(3,17)11-6-8-12(18-4)9-7-11/h6-10,13,17H,1-5H3.
What are the key properties of methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate?
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate has a molecular weight of 266.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate is sourced from PubChem (CID 62395794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).