2-(3,5-dimethylphenoxy)-5-methylbenzoic acid

C16H16O3 — CID 55192437

IUPAC2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
SMILESCc1cc(C)cc(Oc2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C16H16O3/c1-10-4-5-15(14(9-10)16(17)18)19-13-7-11(2)6-12(3)8-13/h4-9H,1-3H3,(H,17,18)
InChIKeyOKQOKYHLWXICNO-UHFFFAOYSA-N
MW256.30 g/mol
LogP4.10
Rot. Bonds3

About 2-(3,5-dimethylphenoxy)-5-methylbenzoic acid

2-(3,5-dimethylphenoxy)-5-methylbenzoic acid (PubChem CID 55192437) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
PubChem CID55192437
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
SMILESCc1cc(C)cc(Oc2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C16H16O3/c1-10-4-5-15(14(9-10)16(17)18)19-13-7-11(2)6-12(3)8-13/h4-9H,1-3H3,(H,17,18)
InChIKeyOKQOKYHLWXICNO-UHFFFAOYSA-N
XLogP4.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenoxy)-5-methylbenzoic acid
CID 22767862
2-(3-bromo-5-fluorophenoxy)-5-methylbenzoic acid
CID 81331429
5-amino-2-(3-methylphenoxy)benzoic acid
CID 54887826
2-aminooxy-5-methylbenzoic acid
CID 154678313
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792581
5-amino-2-(2-bromo-4-methylphenoxy)benzoic acid
CID 54888290
2-bromo-4-(2,4-dimethylphenoxy)benzoic acid
CID 107282422
2-(5-fluoropyrimidin-2-yl)oxy-5-methylbenzoic acid
CID 104606523
2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
CID 61396292
5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid
CID 61396364
5-methyl-2-(5-methyl-2-nitrophenoxy)benzoic acid
CID 62516355
5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-5-methylbenzoic acid?
The IUPAC name of 2-(3,5-dimethylphenoxy)-5-methylbenzoic acid (CID 55192437) is 2-(3,5-dimethylphenoxy)-5-methylbenzoic acid.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-5-methylbenzoic acid?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-5-methylbenzoic acid is Cc1cc(C)cc(Oc2ccc(C)cc2C(=O)O)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-5-methylbenzoic acid?
The InChIKey is OKQOKYHLWXICNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-10-4-5-15(14(9-10)16(17)18)19-13-7-11(2)6-12(3)8-13/h4-9H,1-3H3,(H,17,18).
What are the key properties of 2-(3,5-dimethylphenoxy)-5-methylbenzoic acid?
2-(3,5-dimethylphenoxy)-5-methylbenzoic acid has a molecular weight of 256.30 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-5-methylbenzoic acid is sourced from PubChem (CID 55192437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).