4-methyl-2-prop-2-enoxybenzoic acid

C11H12O3 — CID 23510388

IUPAC4-methyl-2-prop-2-enoxybenzoic acid
SMILESC=CCOc1cc(C)ccc1C(=O)O
InChIInChI=1S/C11H12O3/c1-3-6-14-10-7-8(2)4-5-9(10)11(12)13/h3-5,7H,1,6H2,2H3,(H,12,13)
InChIKeyWWUUJDZKCKQMIL-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.26
Rot. Bonds4

About 4-methyl-2-prop-2-enoxybenzoic acid

4-methyl-2-prop-2-enoxybenzoic acid (PubChem CID 23510388) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-methyl-2-prop-2-enoxybenzoic acid.

Molecular Properties

Compound Name4-methyl-2-prop-2-enoxybenzoic acid
PubChem CID23510388
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-methyl-2-prop-2-enoxybenzoic acid
SMILESC=CCOc1cc(C)ccc1C(=O)O
InChIInChI=1S/C11H12O3/c1-3-6-14-10-7-8(2)4-5-9(10)11(12)13/h3-5,7H,1,6H2,2H3,(H,12,13)
InChIKeyWWUUJDZKCKQMIL-UHFFFAOYSA-N
XLogP2.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-6-prop-2-enoxybenzene-1,3-dicarboxylic acid
CID 174467591
4-(hydroxymethyl)-2-prop-2-enoxybenzoic acid
CID 58818400
4-(2-methylprop-2-enoyloxy)-2-prop-2-enoxybenzoic acid
CID 70445010
2-(3,3-dimethylbutoxy)-4-methylbenzoic acid
CID 61379519
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352
2-(4-bromobutoxy)-4-methylbenzoic acid
CID 19039706
4-methyl-2-[4-(methylamino)-4-oxobutoxy]benzoic acid
CID 63892228
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
2-(3-ethoxypropoxy)-4-methylbenzoic acid
CID 65176172
4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid
CID 60651665
4-methyl-2-prop-2-enoxybenzenesulfinic acid
CID 138562032

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-prop-2-enoxybenzoic acid?
The IUPAC name of 4-methyl-2-prop-2-enoxybenzoic acid (CID 23510388) is 4-methyl-2-prop-2-enoxybenzoic acid.
What is the SMILES notation for 4-methyl-2-prop-2-enoxybenzoic acid?
The canonical SMILES for 4-methyl-2-prop-2-enoxybenzoic acid is C=CCOc1cc(C)ccc1C(=O)O.
What is the InChIKey of 4-methyl-2-prop-2-enoxybenzoic acid?
The InChIKey is WWUUJDZKCKQMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-6-14-10-7-8(2)4-5-9(10)11(12)13/h3-5,7H,1,6H2,2H3,(H,12,13).
What are the key properties of 4-methyl-2-prop-2-enoxybenzoic acid?
4-methyl-2-prop-2-enoxybenzoic acid has a molecular weight of 192.21 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-2-enoxybenzoic acid is sourced from PubChem (CID 23510388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).