2-(2-methylphenyl)acetic acid

C18H20O4 — CID 67440217

IUPAC2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1CC(=O)O.Cc1ccccc1CC(=O)O
InChIInChI=1S/2C9H10O2/c2*1-7-4-2-3-5-8(7)6-9(10)11/h2*2-5H,6H2,1H3,(H,10,11)
InChIKeyOGVTXUTXLMFNRY-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.24
Rot. Bonds4

About 2-(2-methylphenyl)acetic acid

2-(2-methylphenyl)acetic acid (PubChem CID 67440217) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)acetic acid
PubChem CID67440217
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1CC(=O)O.Cc1ccccc1CC(=O)O
InChIInChI=1S/2C9H10O2/c2*1-7-4-2-3-5-8(7)6-9(10)11/h2*2-5H,6H2,1H3,(H,10,11)
InChIKeyOGVTXUTXLMFNRY-UHFFFAOYSA-N
XLogP3.24
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
CID 172781001
CID 172781001
CID 172781038
CID 172781038
1,2-bis(2-methylphenyl)ethanone
CID 11345119
2-(2-methylphenyl)-N-oxoacetamide
CID 89001397
2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid
CID 103239796
(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
CID 67621465
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-(2-methylphenyl)acetic acid (CID 67440217) is 2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-(2-methylphenyl)acetic acid is Cc1ccccc1CC(=O)O.Cc1ccccc1CC(=O)O.
What is the InChIKey of 2-(2-methylphenyl)acetic acid?
The InChIKey is OGVTXUTXLMFNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10O2/c2*1-7-4-2-3-5-8(7)6-9(10)11/h2*2-5H,6H2,1H3,(H,10,11).
What are the key properties of 2-(2-methylphenyl)acetic acid?
2-(2-methylphenyl)acetic acid has a molecular weight of 300.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 67440217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).