methyl 3-(3-hydroxy-4-methylphenyl)propanoate

C11H14O3 — CID 20742465

IUPACmethyl 3-(3-hydroxy-4-methylphenyl)propanoate
SMILESCOC(=O)CCc1ccc(C)c(O)c1
InChIInChI=1S/C11H14O3/c1-8-3-4-9(7-10(8)12)5-6-11(13)14-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyKZPUZGIKCAHORV-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.81
Rot. Bonds3

About methyl 3-(3-hydroxy-4-methylphenyl)propanoate

methyl 3-(3-hydroxy-4-methylphenyl)propanoate (PubChem CID 20742465) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 3-(3-hydroxy-4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-hydroxy-4-methylphenyl)propanoate
PubChem CID20742465
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl 3-(3-hydroxy-4-methylphenyl)propanoate
SMILESCOC(=O)CCc1ccc(C)c(O)c1
InChIInChI=1S/C11H14O3/c1-8-3-4-9(7-10(8)12)5-6-11(13)14-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyKZPUZGIKCAHORV-UHFFFAOYSA-N
XLogP1.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-4-methylphenyl)butan-2-one
CID 83695947
5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol
CID 138664749
methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 3084638
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
(E)-3-[5-(3-methoxy-3-oxopropyl)-2-methylphenyl]prop-2-enoic acid
CID 134628684
methyl 3-(3,4-diaminophenyl)propanoate
CID 122514005
methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate
CID 70423773
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580
methyl 3-(3-amino-4-bromophenyl)propanoate
CID 84709341
methyl 3-(4-amino-3-bromophenyl)propanoate
CID 15486660
methyl 3-[3-(2-amino-4-pyridinyl)-4-methylphenyl]propanoate
CID 154658937

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-hydroxy-4-methylphenyl)propanoate?
The IUPAC name of methyl 3-(3-hydroxy-4-methylphenyl)propanoate (CID 20742465) is methyl 3-(3-hydroxy-4-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-(3-hydroxy-4-methylphenyl)propanoate?
The canonical SMILES for methyl 3-(3-hydroxy-4-methylphenyl)propanoate is COC(=O)CCc1ccc(C)c(O)c1.
What is the InChIKey of methyl 3-(3-hydroxy-4-methylphenyl)propanoate?
The InChIKey is KZPUZGIKCAHORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-3-4-9(7-10(8)12)5-6-11(13)14-2/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of methyl 3-(3-hydroxy-4-methylphenyl)propanoate?
methyl 3-(3-hydroxy-4-methylphenyl)propanoate has a molecular weight of 194.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydroxy-4-methylphenyl)propanoate is sourced from PubChem (CID 20742465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).