2-(ethoxymethyl)-5-methylbenzoic acid

C11H14O3 — CID 117221377

IUPAC2-(ethoxymethyl)-5-methylbenzoic acid
SMILESCCOCc1ccc(C)cc1C(=O)O
InChIInChI=1S/C11H14O3/c1-3-14-7-9-5-4-8(2)6-10(9)11(12)13/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyVOBDSFDWFBNHRQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.23
Rot. Bonds4

About 2-(ethoxymethyl)-5-methylbenzoic acid

2-(ethoxymethyl)-5-methylbenzoic acid (PubChem CID 117221377) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-methylbenzoic acid
PubChem CID117221377
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(ethoxymethyl)-5-methylbenzoic acid
SMILESCCOCc1ccc(C)cc1C(=O)O
InChIInChI=1S/C11H14O3/c1-3-14-7-9-5-4-8(2)6-10(9)11(12)13/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyVOBDSFDWFBNHRQ-UHFFFAOYSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(chloromethyl)-5-methylbenzoic acid
CID 91883401
4-bromo-2-(ethoxymethyl)-5-methylbenzoic acid
CID 134420943
2-(2-carboxyethyl)-5-methylbenzoic acid
CID 82158434
5-methyl-2-[(4-methylphenyl)methyl]benzoic acid
CID 15740404
2-[(3-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221147
2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221035
2-ethyl-4-methylbenzoic acid
CID 19886963
CID 86730690
CID 86730690
2-(3-bromopropyl)-5-methylbenzoic acid
CID 118808242
2-[2-ethoxyethyl(methyl)amino]-5-methylbenzoic acid
CID 81056290
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352
2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid
CID 141078685

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-methylbenzoic acid?
The IUPAC name of 2-(ethoxymethyl)-5-methylbenzoic acid (CID 117221377) is 2-(ethoxymethyl)-5-methylbenzoic acid.
What is the SMILES notation for 2-(ethoxymethyl)-5-methylbenzoic acid?
The canonical SMILES for 2-(ethoxymethyl)-5-methylbenzoic acid is CCOCc1ccc(C)cc1C(=O)O.
What is the InChIKey of 2-(ethoxymethyl)-5-methylbenzoic acid?
The InChIKey is VOBDSFDWFBNHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-14-7-9-5-4-8(2)6-10(9)11(12)13/h4-6H,3,7H2,1-2H3,(H,12,13).
What are the key properties of 2-(ethoxymethyl)-5-methylbenzoic acid?
2-(ethoxymethyl)-5-methylbenzoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-methylbenzoic acid is sourced from PubChem (CID 117221377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).