2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid

C13H15ClO3 — CID 103272478

IUPAC2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid
SMILESO=C(O)CC1(OCc2ccccc2Cl)CCC1
InChIInChI=1S/C13H15ClO3/c14-11-5-2-1-4-10(11)9-17-13(6-3-7-13)8-12(15)16/h1-2,4-5H,3,6-9H2,(H,15,16)
InChIKeyNLDRVDFCEGUPDN-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.25
Rot. Bonds5

About 2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid

2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid (PubChem CID 103272478) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid
PubChem CID103272478
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid
SMILESO=C(O)CC1(OCc2ccccc2Cl)CCC1
InChIInChI=1S/C13H15ClO3/c14-11-5-2-1-4-10(11)9-17-13(6-3-7-13)8-12(15)16/h1-2,4-5H,3,6-9H2,(H,15,16)
InChIKeyNLDRVDFCEGUPDN-UHFFFAOYSA-N
XLogP3.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid (CID 103272478) is 2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid is O=C(O)CC1(OCc2ccccc2Cl)CCC1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid?
The InChIKey is NLDRVDFCEGUPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c14-11-5-2-1-4-10(11)9-17-13(6-3-7-13)8-12(15)16/h1-2,4-5H,3,6-9H2,(H,15,16).
What are the key properties of 2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid?
2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid has a molecular weight of 254.71 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid is sourced from PubChem (CID 103272478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).