methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate

C11H14O4 — CID 62393477

IUPACmethyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)C(O)c1ccc(O)cc1
InChIInChI=1S/C11H14O4/c1-7(11(14)15-2)10(13)8-3-5-9(12)6-4-8/h3-7,10,12-13H,1-2H3
InChIKeyDOVVAZTVCUXSDA-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.23
Rot. Bonds3

About methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate

methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate (PubChem CID 62393477) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate
PubChem CID62393477
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)C(O)c1ccc(O)cc1
InChIInChI=1S/C11H14O4/c1-7(11(14)15-2)10(13)8-3-5-9(12)6-4-8/h3-7,10,12-13H,1-2H3
InChIKeyDOVVAZTVCUXSDA-UHFFFAOYSA-N
XLogP1.23
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[hydroxy-(4-hydroxyphenyl)methyl]-3-methylbutanoate
CID 55071607
methyl 3-(3-chloro-4-hydroxyphenyl)-3-hydroxy-2-methylpropanoate
CID 62394188
methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 11608837
methyl 2-amino-3-(4-hydroxyphenyl)butanoate
CID 83909294
methyl 2-[1-(4-hydroxyphenyl)ethylamino]-3-methylbutanoate
CID 43383228
methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate
CID 106818489
methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 55071502
methyl 3-[3-(difluoromethyl)phenyl]-3-hydroxy-2-methylpropanoate
CID 115528620
methyl 3-(4-hydroxyphenyl)sulfanyl-2-methylpropanoate
CID 61030599
4-(1-hydroxy-2,2-dimethoxyethyl)phenol
CID 15515162
4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
methyl 3-[(4-hydroxyphenyl)methylamino]-2-methylbutanoate
CID 114331709

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate?
The IUPAC name of methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate (CID 62393477) is methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate?
The canonical SMILES for methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate is COC(=O)C(C)C(O)c1ccc(O)cc1.
What is the InChIKey of methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate?
The InChIKey is DOVVAZTVCUXSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7(11(14)15-2)10(13)8-3-5-9(12)6-4-8/h3-7,10,12-13H,1-2H3.
What are the key properties of methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate?
methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate has a molecular weight of 210.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate is sourced from PubChem (CID 62393477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).