2-methyl-4-prop-2-enoyloxybenzoic acid

C11H10O4 — CID 151032706

IUPAC2-methyl-4-prop-2-enoyloxybenzoic acid
SMILESC=CC(=O)Oc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C11H10O4/c1-3-10(12)15-8-4-5-9(11(13)14)7(2)6-8/h3-6H,1H2,2H3,(H,13,14)
InChIKeyMQNWDKNUGJGTGJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.78
Rot. Bonds3

About 2-methyl-4-prop-2-enoyloxybenzoic acid

2-methyl-4-prop-2-enoyloxybenzoic acid (PubChem CID 151032706) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-methyl-4-prop-2-enoyloxybenzoic acid.

Molecular Properties

Compound Name2-methyl-4-prop-2-enoyloxybenzoic acid
PubChem CID151032706
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name2-methyl-4-prop-2-enoyloxybenzoic acid
SMILESC=CC(=O)Oc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C11H10O4/c1-3-10(12)15-8-4-5-9(11(13)14)7(2)6-8/h3-6H,1H2,2H3,(H,13,14)
InChIKeyMQNWDKNUGJGTGJ-UHFFFAOYSA-N
XLogP1.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride
CID 66781745
[(3S,3aR,6R,6aR)-6-(2-methyl-4-prop-2-enoyloxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methyl-4-prop-2-enoyloxybenzoate
CID 89106372
4-(3-hydroxybutan-2-yloxy)-2-methylbenzoic acid
CID 107671156
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
(3-methyl-4-prop-1-en-2-ylphenyl) acetate
CID 21189087
phenyl 4-methyl-2-prop-2-enoyloxybenzoate
CID 89405536
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
[3,4-di(propan-2-yl)phenyl] prop-2-enoate
CID 168959354
2-methyl-4-(4-methylsulfanylphenoxy)benzoic acid
CID 63649360
[4-[bis(2,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 102112166
(3-carbonochloridoyloxyphenyl) prop-2-enoate
CID 174628554

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-prop-2-enoyloxybenzoic acid?
The IUPAC name of 2-methyl-4-prop-2-enoyloxybenzoic acid (CID 151032706) is 2-methyl-4-prop-2-enoyloxybenzoic acid.
What is the SMILES notation for 2-methyl-4-prop-2-enoyloxybenzoic acid?
The canonical SMILES for 2-methyl-4-prop-2-enoyloxybenzoic acid is C=CC(=O)Oc1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 2-methyl-4-prop-2-enoyloxybenzoic acid?
The InChIKey is MQNWDKNUGJGTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-3-10(12)15-8-4-5-9(11(13)14)7(2)6-8/h3-6H,1H2,2H3,(H,13,14).
What are the key properties of 2-methyl-4-prop-2-enoyloxybenzoic acid?
2-methyl-4-prop-2-enoyloxybenzoic acid has a molecular weight of 206.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-prop-2-enoyloxybenzoic acid is sourced from PubChem (CID 151032706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).