3-[(3-chlorophenyl)methoxy]cyclobutan-1-one

C11H11ClO2 — CID 66367482

IUPAC3-[(3-chlorophenyl)methoxy]cyclobutan-1-one
SMILESO=C1CC(OCc2cccc(Cl)c2)C1
InChIInChI=1S/C11H11ClO2/c12-9-3-1-2-8(4-9)7-14-11-5-10(13)6-11/h1-4,11H,5-7H2
InChIKeyUSIBHJVCKDDMRF-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.59
Rot. Bonds3

About 3-[(3-chlorophenyl)methoxy]cyclobutan-1-one

3-[(3-chlorophenyl)methoxy]cyclobutan-1-one (PubChem CID 66367482) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxy]cyclobutan-1-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxy]cyclobutan-1-one
PubChem CID66367482
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name3-[(3-chlorophenyl)methoxy]cyclobutan-1-one
SMILESO=C1CC(OCc2cccc(Cl)c2)C1
InChIInChI=1S/C11H11ClO2/c12-9-3-1-2-8(4-9)7-14-11-5-10(13)6-11/h1-4,11H,5-7H2
InChIKeyUSIBHJVCKDDMRF-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromophenyl)methoxy]cyclobutan-1-one
CID 82826300
3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
CID 45075467
3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one
CID 104675230
trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine
CID 126644466
3-[(3-bromophenyl)methoxy]cyclohexan-1-one
CID 82826289
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
lithium (3-chlorophenyl)methylazanide
CID 142040890
(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223391
(3-chlorophenyl)methyl 4-aminocyclopent-2-ene-1-carboxylate
CID 79209447
3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66350520

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methoxy]cyclobutan-1-one?
The IUPAC name of 3-[(3-chlorophenyl)methoxy]cyclobutan-1-one (CID 66367482) is 3-[(3-chlorophenyl)methoxy]cyclobutan-1-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxy]cyclobutan-1-one?
The canonical SMILES for 3-[(3-chlorophenyl)methoxy]cyclobutan-1-one is O=C1CC(OCc2cccc(Cl)c2)C1.
What is the InChIKey of 3-[(3-chlorophenyl)methoxy]cyclobutan-1-one?
The InChIKey is USIBHJVCKDDMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-9-3-1-2-8(4-9)7-14-11-5-10(13)6-11/h1-4,11H,5-7H2.
What are the key properties of 3-[(3-chlorophenyl)methoxy]cyclobutan-1-one?
3-[(3-chlorophenyl)methoxy]cyclobutan-1-one has a molecular weight of 210.66 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxy]cyclobutan-1-one is sourced from PubChem (CID 66367482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).