2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid

C14H18O2 — CID 123624609

IUPAC2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid
SMILESCc1c(CC(=O)O)ccc(C2CC2C)c1C
InChIInChI=1S/C14H18O2/c1-8-6-13(8)12-5-4-11(7-14(15)16)9(2)10(12)3/h4-5,8,13H,6-7H2,1-3H3,(H,15,16)
InChIKeyPWRGJIIWJUDSOW-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.05
Rot. Bonds3

About 2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid

2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid (PubChem CID 123624609) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid
PubChem CID123624609
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid
SMILESCc1c(CC(=O)O)ccc(C2CC2C)c1C
InChIInChI=1S/C14H18O2/c1-8-6-13(8)12-5-4-11(7-14(15)16)9(2)10(12)3/h4-5,8,13H,6-7H2,1-3H3,(H,15,16)
InChIKeyPWRGJIIWJUDSOW-UHFFFAOYSA-N
XLogP3.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid?
The IUPAC name of 2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid (CID 123624609) is 2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid?
The canonical SMILES for 2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid is Cc1c(CC(=O)O)ccc(C2CC2C)c1C.
What is the InChIKey of 2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid?
The InChIKey is PWRGJIIWJUDSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-8-6-13(8)12-5-4-11(7-14(15)16)9(2)10(12)3/h4-5,8,13H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid?
2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid has a molecular weight of 218.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethyl-4-(2-methylcyclopropyl)phenyl]acetic acid is sourced from PubChem (CID 123624609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).