2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid

C17H18O3 — CID 83068338

IUPAC2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid
SMILESCOc1c(C)cc(-c2ccc(C)cc2C(=O)O)cc1C
InChIInChI=1S/C17H18O3/c1-10-5-6-14(15(7-10)17(18)19)13-8-11(2)16(20-4)12(3)9-13/h5-9H,1-4H3,(H,18,19)
InChIKeyIUGHIEPXBPPIFS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.99
Rot. Bonds3

About 2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid

2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid (PubChem CID 83068338) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid
PubChem CID83068338
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid
SMILESCOc1c(C)cc(-c2ccc(C)cc2C(=O)O)cc1C
InChIInChI=1S/C17H18O3/c1-10-5-6-14(15(7-10)17(18)19)13-8-11(2)16(20-4)12(3)9-13/h5-9H,1-4H3,(H,18,19)
InChIKeyIUGHIEPXBPPIFS-UHFFFAOYSA-N
XLogP3.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid
CID 83067813
3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid
CID 83068115
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036
2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid
CID 53226704
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde
CID 83068040
2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid
CID 53225648
5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid
CID 115374996
2-(3,4-diethylphenyl)-5-methylbenzoic acid
CID 115482487
5-methyl-2-thiophen-3-ylbenzoic acid
CID 53224821
methyl 5-methyl-2-(4-methylphenyl)benzoate
CID 22125905
2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid
CID 53226719

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid?
The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid (CID 83068338) is 2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid is COc1c(C)cc(-c2ccc(C)cc2C(=O)O)cc1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid?
The InChIKey is IUGHIEPXBPPIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-10-5-6-14(15(7-10)17(18)19)13-8-11(2)16(20-4)12(3)9-13/h5-9H,1-4H3,(H,18,19).
What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid?
2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid is sourced from PubChem (CID 83068338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).