2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid

C18H18O3 — CID 103272411

IUPAC2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid
SMILESO=C(O)CC1(Oc2ccccc2-c2ccccc2)CCC1
InChIInChI=1S/C18H18O3/c19-17(20)13-18(11-6-12-18)21-16-10-5-4-9-15(16)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,19,20)
InChIKeyREPPMAHFAKWRJW-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.13
Rot. Bonds5

About 2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid

2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid (PubChem CID 103272411) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid
PubChem CID103272411
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid
SMILESO=C(O)CC1(Oc2ccccc2-c2ccccc2)CCC1
InChIInChI=1S/C18H18O3/c19-17(20)13-18(11-6-12-18)21-16-10-5-4-9-15(16)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,19,20)
InChIKeyREPPMAHFAKWRJW-UHFFFAOYSA-N
XLogP4.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid (CID 103272411) is 2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid is O=C(O)CC1(Oc2ccccc2-c2ccccc2)CCC1.
What is the InChIKey of 2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid?
The InChIKey is REPPMAHFAKWRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-17(20)13-18(11-6-12-18)21-16-10-5-4-9-15(16)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,19,20).
What are the key properties of 2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid?
2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylphenoxy)cyclobutyl]acetic acid is sourced from PubChem (CID 103272411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).