3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol

C11H13ClO2 — CID 66343960

IUPAC3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol
SMILESCc1ccc(OC2CC(O)C2)c(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-7-2-3-11(10(12)4-7)14-9-5-8(13)6-9/h2-4,8-9,13H,5-6H2,1H3
InChIKeyKUIHAXYRFKZYRA-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.55
Rot. Bonds2

About 3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol

3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol (PubChem CID 66343960) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol
PubChem CID66343960
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol
SMILESCc1ccc(OC2CC(O)C2)c(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-7-2-3-11(10(12)4-7)14-9-5-8(13)6-9/h2-4,8-9,13H,5-6H2,1H3
InChIKeyKUIHAXYRFKZYRA-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol
CID 66346048
4-(2-chloro-4-methylphenoxy)oxane
CID 58103858
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258
methyl (2S,4S)-4-(2-chloro-4-methylphenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 56831381
3-(2,4-dibromophenoxy)cyclobutan-1-ol
CID 66346486
[2-(3,5-dimethylcyclohexyl)oxy-5-methylphenyl]boronic acid
CID 64735720
2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 64751211
3-(2,4-dichlorophenoxy)cyclobutan-1-amine
CID 66359762
3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol
CID 66345858
3-(hydroxymethyl)-5-[2-[(4-methoxyphenyl)methyl]-5-methylphenoxy]cyclohexan-1-ol
CID 143173165
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66351139

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol?
The IUPAC name of 3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol (CID 66343960) is 3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol.
What is the SMILES notation for 3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol?
The canonical SMILES for 3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol is Cc1ccc(OC2CC(O)C2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol?
The InChIKey is KUIHAXYRFKZYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-7-2-3-11(10(12)4-7)14-9-5-8(13)6-9/h2-4,8-9,13H,5-6H2,1H3.
What are the key properties of 3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol?
3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol has a molecular weight of 212.68 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol is sourced from PubChem (CID 66343960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).