(3-hydroxy-2-methylphenyl)methyl propanoate

C11H14O3 — CID 175764363

IUPAC(3-hydroxy-2-methylphenyl)methyl propanoate
SMILESCCC(=O)OCc1cccc(O)c1C
InChIInChI=1S/C11H14O3/c1-3-11(13)14-7-9-5-4-6-10(12)8(9)2/h4-6,12H,3,7H2,1-2H3
InChIKeyGUFXTILTEKBAKA-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.15
Rot. Bonds3

About (3-hydroxy-2-methylphenyl)methyl propanoate

(3-hydroxy-2-methylphenyl)methyl propanoate (PubChem CID 175764363) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3-hydroxy-2-methylphenyl)methyl propanoate.

Molecular Properties

Compound Name(3-hydroxy-2-methylphenyl)methyl propanoate
PubChem CID175764363
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3-hydroxy-2-methylphenyl)methyl propanoate
SMILESCCC(=O)OCc1cccc(O)c1C
InChIInChI=1S/C11H14O3/c1-3-11(13)14-7-9-5-4-6-10(12)8(9)2/h4-6,12H,3,7H2,1-2H3
InChIKeyGUFXTILTEKBAKA-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-1-ylmethyl propanoate
CID 13262702
(2,3-dimethylphenyl)methyl butanoate
CID 71330458
methyl 2-(propanoyloxymethyl)benzoate
CID 20717774
2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
CID 55269104
pyren-1-ylmethyl propanoate
CID 101198857
(2,3-dimethylphenyl)methyl 2-hydroxybenzoate
CID 175168721
[4-(aminomethyl)phenyl]methyl propanoate
CID 166101936
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl propanoate
CID 68972161
benzyl propanoate;hydrochloride
CID 140986165
[2-(3-methoxyphenyl)phenyl]methyl propanoate
CID 57074260
(3-formylphenyl)methyl propanoate
CID 121217637
3-[2-[amino(methyl)amino]ethyl]-2-methylphenol
CID 137451033

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methylphenyl)methyl propanoate?
The IUPAC name of (3-hydroxy-2-methylphenyl)methyl propanoate (CID 175764363) is (3-hydroxy-2-methylphenyl)methyl propanoate.
What is the SMILES notation for (3-hydroxy-2-methylphenyl)methyl propanoate?
The canonical SMILES for (3-hydroxy-2-methylphenyl)methyl propanoate is CCC(=O)OCc1cccc(O)c1C.
What is the InChIKey of (3-hydroxy-2-methylphenyl)methyl propanoate?
The InChIKey is GUFXTILTEKBAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-11(13)14-7-9-5-4-6-10(12)8(9)2/h4-6,12H,3,7H2,1-2H3.
What are the key properties of (3-hydroxy-2-methylphenyl)methyl propanoate?
(3-hydroxy-2-methylphenyl)methyl propanoate has a molecular weight of 194.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methylphenyl)methyl propanoate is sourced from PubChem (CID 175764363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).