4-methyl-3-(4-propan-2-ylphenyl)benzoic acid

C17H18O2 — CID 67519519

IUPAC4-methyl-3-(4-propan-2-ylphenyl)benzoic acid
SMILESCc1ccc(C(=O)O)cc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H18O2/c1-11(2)13-6-8-14(9-7-13)16-10-15(17(18)19)5-4-12(16)3/h4-11H,1-3H3,(H,18,19)
InChIKeyWDJHHJWKJWVBDT-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.48
Rot. Bonds3

About 4-methyl-3-(4-propan-2-ylphenyl)benzoic acid

4-methyl-3-(4-propan-2-ylphenyl)benzoic acid (PubChem CID 67519519) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-methyl-3-(4-propan-2-ylphenyl)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(4-propan-2-ylphenyl)benzoic acid
PubChem CID67519519
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-methyl-3-(4-propan-2-ylphenyl)benzoic acid
SMILESCc1ccc(C(=O)O)cc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H18O2/c1-11(2)13-6-8-14(9-7-13)16-10-15(17(18)19)5-4-12(16)3/h4-11H,1-3H3,(H,18,19)
InChIKeyWDJHHJWKJWVBDT-UHFFFAOYSA-N
XLogP4.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-butan-2-ylphenyl)-4-methylbenzoic acid
CID 81476320
4-chloro-3-(4-propan-2-ylphenyl)benzoic acid
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1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
4-methyl-3-propan-2-ylbenzoic acid
CID 23530580
4-[2-amino-3-(4-carboxyphenyl)-5-propan-2-ylphenyl]benzoic acid
CID 163197790
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
copper 4-propan-2-ylbenzoic acid
CID 54605006
4-(2-methyl-5-propan-2-ylphenyl)phenol
CID 151746189
3-(3,4-diethylphenyl)-4-methylbenzoic acid
CID 115482483
3-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-methylbenzoic acid
CID 95230720
2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one
CID 82117119
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-propan-2-ylphenyl)benzoic acid?
The IUPAC name of 4-methyl-3-(4-propan-2-ylphenyl)benzoic acid (CID 67519519) is 4-methyl-3-(4-propan-2-ylphenyl)benzoic acid.
What is the SMILES notation for 4-methyl-3-(4-propan-2-ylphenyl)benzoic acid?
The canonical SMILES for 4-methyl-3-(4-propan-2-ylphenyl)benzoic acid is Cc1ccc(C(=O)O)cc1-c1ccc(C(C)C)cc1.
What is the InChIKey of 4-methyl-3-(4-propan-2-ylphenyl)benzoic acid?
The InChIKey is WDJHHJWKJWVBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-11(2)13-6-8-14(9-7-13)16-10-15(17(18)19)5-4-12(16)3/h4-11H,1-3H3,(H,18,19).
What are the key properties of 4-methyl-3-(4-propan-2-ylphenyl)benzoic acid?
4-methyl-3-(4-propan-2-ylphenyl)benzoic acid has a molecular weight of 254.33 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-propan-2-ylphenyl)benzoic acid is sourced from PubChem (CID 67519519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).