2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid

C13H16O2 — CID 22978374

IUPAC2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid
SMILESCc1ccc(CC2(CC(=O)O)CC2)cc1
InChIInChI=1S/C13H16O2/c1-10-2-4-11(5-3-10)8-13(6-7-13)9-12(14)15/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyZDYVYYQUJRCNHL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.79
Rot. Bonds4

About 2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid

2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid (PubChem CID 22978374) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid
PubChem CID22978374
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid
SMILESCc1ccc(CC2(CC(=O)O)CC2)cc1
InChIInChI=1S/C13H16O2/c1-10-2-4-11(5-3-10)8-13(6-7-13)9-12(14)15/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyZDYVYYQUJRCNHL-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid (CID 22978374) is 2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid is Cc1ccc(CC2(CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid?
The InChIKey is ZDYVYYQUJRCNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-10-2-4-11(5-3-10)8-13(6-7-13)9-12(14)15/h2-5H,6-9H2,1H3,(H,14,15).
What are the key properties of 2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid?
2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid has a molecular weight of 204.27 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 22978374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).