methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate

C12H14O4 — CID 156828758

IUPACmethyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate
SMILESC=CCOc1cc(C(=O)OC)cc(O)c1C
InChIInChI=1S/C12H14O4/c1-4-5-16-11-7-9(12(14)15-3)6-10(13)8(11)2/h4,6-7,13H,1,5H2,2-3H3
InChIKeyCRNGMTXSZYJUPV-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.05
Rot. Bonds4

About methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate

methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate (PubChem CID 156828758) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate
PubChem CID156828758
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Namemethyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate
SMILESC=CCOc1cc(C(=O)OC)cc(O)c1C
InChIInChI=1S/C12H14O4/c1-4-5-16-11-7-9(12(14)15-3)6-10(13)8(11)2/h4,6-7,13H,1,5H2,2-3H3
InChIKeyCRNGMTXSZYJUPV-UHFFFAOYSA-N
XLogP2.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-fluoro-3-prop-2-enoxybenzoate
CID 67441936
methyl 4-hydroxy-3,6-dimethyl-2-prop-2-enoxybenzoate
CID 2300474
dimethyl 4-prop-2-enoxybenzene-1,3-dicarboxylate
CID 71377210
methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate
CID 11241748
1-(2-acetyl-5-hydroxy-6-methyl-3-prop-2-enoxyphenyl)ethanone
CID 58521102
methyl 3-acetyl-4-prop-2-enoxybenzoate
CID 97033850
methyl 3-fluoro-5-hydroxy-4-methylbenzoate
CID 55265589
methyl 3-chloro-5-hydroxy-4-methylbenzoate
CID 10241910
[5-[5-[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4-dihydroxy-5-methylbenzoate;[5-[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,5-dihydroxy-4-methylbenzoate;[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-3-hydroxy-2-methylphenyl] 3,4-dihydroxy-5-methylbenzoate;[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,5-dihydroxy-4-methylbenzoate;[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenyl] 3,4-dihydroxy-5-methylbenzoate;(2,3-dihydroxy-5-methoxycarbonylphenyl) 3,4,5-trihydroxybenzoate;methyl 3,4-dihydroxy-5-methylbenzoate
CID 163841413
[5-[5-[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4-dihydroxy-5-methylbenzoate;[5-[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,5-dihydroxy-4-methylbenzoate;[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4-dihydroxy-5-methylbenzoate;[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,5-dihydroxy-4-methylbenzoate;[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenyl] 3,4-dihydroxy-5-methylbenzoate;(2,3-dihydroxy-5-methoxycarbonylphenyl) 3,5-dihydroxy-4-methylbenzoate;methyl 3,4-dihydroxy-5-methylbenzoate
CID 160831420
methyl 5-iodo-2-methyl-4-prop-2-enoxybenzoate
CID 102014904
3-methoxycarbonyl-4-prop-2-enoxybenzoic acid
CID 71429807

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate?
The IUPAC name of methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate (CID 156828758) is methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate.
What is the SMILES notation for methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate?
The canonical SMILES for methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate is C=CCOc1cc(C(=O)OC)cc(O)c1C.
What is the InChIKey of methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate?
The InChIKey is CRNGMTXSZYJUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-4-5-16-11-7-9(12(14)15-3)6-10(13)8(11)2/h4,6-7,13H,1,5H2,2-3H3.
What are the key properties of methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate?
methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate has a molecular weight of 222.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate is sourced from PubChem (CID 156828758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).