3-(3,4-diethylphenyl)-4-methylbenzoic acid

C18H20O2 — CID 115482483

IUPAC3-(3,4-diethylphenyl)-4-methylbenzoic acid
SMILESCCc1ccc(-c2cc(C(=O)O)ccc2C)cc1CC
InChIInChI=1S/C18H20O2/c1-4-13-8-9-15(10-14(13)5-2)17-11-16(18(19)20)7-6-12(17)3/h6-11H,4-5H2,1-3H3,(H,19,20)
InChIKeyHCIASWMIMMZYOK-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.49
Rot. Bonds4

About 3-(3,4-diethylphenyl)-4-methylbenzoic acid

3-(3,4-diethylphenyl)-4-methylbenzoic acid (PubChem CID 115482483) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(3,4-diethylphenyl)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(3,4-diethylphenyl)-4-methylbenzoic acid
PubChem CID115482483
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-(3,4-diethylphenyl)-4-methylbenzoic acid
SMILESCCc1ccc(-c2cc(C(=O)O)ccc2C)cc1CC
InChIInChI=1S/C18H20O2/c1-4-13-8-9-15(10-14(13)5-2)17-11-16(18(19)20)7-6-12(17)3/h6-11H,4-5H2,1-3H3,(H,19,20)
InChIKeyHCIASWMIMMZYOK-UHFFFAOYSA-N
XLogP4.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-butan-2-ylphenyl)-4-methylbenzoic acid
CID 81476320
ethane;4-ethyl-3-methylbenzoic acid
CID 144686494
4-methyl-3-(4-propan-2-ylphenyl)benzoic acid
CID 67519519
2-(3,4-diethylphenyl)-5-methylbenzoic acid
CID 115482487
4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid
CID 86221983
4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzoic acid
CID 146521368
3-(2,5-dimethylphenyl)benzoic acid
CID 39246828
3-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzoic acid
CID 87430681
3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid
CID 81476712
4-(4-ethylphenyl)-3-methylbenzoic acid
CID 53225239
3-ethyl-4-(iodomethyl)benzoic acid
CID 91883748
4-methyl-3-quinazolin-6-ylbenzoic acid
CID 58829177

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethylphenyl)-4-methylbenzoic acid?
The IUPAC name of 3-(3,4-diethylphenyl)-4-methylbenzoic acid (CID 115482483) is 3-(3,4-diethylphenyl)-4-methylbenzoic acid.
What is the SMILES notation for 3-(3,4-diethylphenyl)-4-methylbenzoic acid?
The canonical SMILES for 3-(3,4-diethylphenyl)-4-methylbenzoic acid is CCc1ccc(-c2cc(C(=O)O)ccc2C)cc1CC.
What is the InChIKey of 3-(3,4-diethylphenyl)-4-methylbenzoic acid?
The InChIKey is HCIASWMIMMZYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-4-13-8-9-15(10-14(13)5-2)17-11-16(18(19)20)7-6-12(17)3/h6-11H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 3-(3,4-diethylphenyl)-4-methylbenzoic acid?
3-(3,4-diethylphenyl)-4-methylbenzoic acid has a molecular weight of 268.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethylphenyl)-4-methylbenzoic acid is sourced from PubChem (CID 115482483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).