(2R)-2-(3-methoxyphenyl)cyclobutan-1-one

C11H12O2 — CID 129415891

IUPAC(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
SMILESCOc1cccc([C@H]2CCC2=O)c1
InChIInChI=1S/C11H12O2/c1-13-9-4-2-3-8(7-9)10-5-6-11(10)12/h2-4,7,10H,5-6H2,1H3/t10-/m1/s1
InChIKeyFDAZDYMMDJGHEA-SNVBAGLBSA-N
MW176.22 g/mol
LogP2.14
Rot. Bonds2

About (2R)-2-(3-methoxyphenyl)cyclobutan-1-one

(2R)-2-(3-methoxyphenyl)cyclobutan-1-one (PubChem CID 129415891) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (2R)-2-(3-methoxyphenyl)cyclobutan-1-one.

Molecular Properties

Compound Name(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
PubChem CID129415891
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
SMILESCOc1cccc([C@H]2CCC2=O)c1
InChIInChI=1S/C11H12O2/c1-13-9-4-2-3-8(7-9)10-5-6-11(10)12/h2-4,7,10H,5-6H2,1H3/t10-/m1/s1
InChIKeyFDAZDYMMDJGHEA-SNVBAGLBSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxyphenyl)cyclobutan-1-one?
The IUPAC name of (2R)-2-(3-methoxyphenyl)cyclobutan-1-one (CID 129415891) is (2R)-2-(3-methoxyphenyl)cyclobutan-1-one.
What is the SMILES notation for (2R)-2-(3-methoxyphenyl)cyclobutan-1-one?
The canonical SMILES for (2R)-2-(3-methoxyphenyl)cyclobutan-1-one is COc1cccc([C@H]2CCC2=O)c1.
What is the InChIKey of (2R)-2-(3-methoxyphenyl)cyclobutan-1-one?
The InChIKey is FDAZDYMMDJGHEA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12O2/c1-13-9-4-2-3-8(7-9)10-5-6-11(10)12/h2-4,7,10H,5-6H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(3-methoxyphenyl)cyclobutan-1-one?
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one has a molecular weight of 176.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxyphenyl)cyclobutan-1-one is sourced from PubChem (CID 129415891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).