2-(4-methyl-2-propanoylphenyl)acetic acid

C12H14O3 — CID 134628481

IUPAC2-(4-methyl-2-propanoylphenyl)acetic acid
SMILESCCC(=O)c1cc(C)ccc1CC(=O)O
InChIInChI=1S/C12H14O3/c1-3-11(13)10-6-8(2)4-5-9(10)7-12(14)15/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyLAWRVXOARLPITQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.21
Rot. Bonds4

About 2-(4-methyl-2-propanoylphenyl)acetic acid

2-(4-methyl-2-propanoylphenyl)acetic acid (PubChem CID 134628481) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(4-methyl-2-propanoylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-2-propanoylphenyl)acetic acid
PubChem CID134628481
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(4-methyl-2-propanoylphenyl)acetic acid
SMILESCCC(=O)c1cc(C)ccc1CC(=O)O
InChIInChI=1S/C12H14O3/c1-3-11(13)10-6-8(2)4-5-9(10)7-12(14)15/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyLAWRVXOARLPITQ-UHFFFAOYSA-N
XLogP2.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(4-methyl-2-propanoylphenyl)prop-2-enoic acid
CID 134615397
2-[2-(iodomethyl)-5-methylphenyl]acetic acid
CID 91883927
1-[2-(chloromethyl)-4-methylphenyl]propan-1-one
CID 131189336
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one
CID 71333475
2-(2-carboxyethyl)-5-methylbenzoic acid
CID 82158434
1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one
CID 54068106
2-(chloromethyl)-5-methylbenzoic acid
CID 91883401
5-methyl-2-propanoylbenzonitrile
CID 131190087
3-(5-methyl-2-propylphenyl)but-3-enoic acid
CID 123682201
2-ethyl-4-methylbenzoic acid
CID 19886963

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-propanoylphenyl)acetic acid?
The IUPAC name of 2-(4-methyl-2-propanoylphenyl)acetic acid (CID 134628481) is 2-(4-methyl-2-propanoylphenyl)acetic acid.
What is the SMILES notation for 2-(4-methyl-2-propanoylphenyl)acetic acid?
The canonical SMILES for 2-(4-methyl-2-propanoylphenyl)acetic acid is CCC(=O)c1cc(C)ccc1CC(=O)O.
What is the InChIKey of 2-(4-methyl-2-propanoylphenyl)acetic acid?
The InChIKey is LAWRVXOARLPITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-11(13)10-6-8(2)4-5-9(10)7-12(14)15/h4-6H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-methyl-2-propanoylphenyl)acetic acid?
2-(4-methyl-2-propanoylphenyl)acetic acid has a molecular weight of 206.24 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-propanoylphenyl)acetic acid is sourced from PubChem (CID 134628481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).