1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol

C13H18O2 — CID 155896822

IUPAC1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol
SMILESCc1cccc(OCC2(O)CCC2)c1C
InChIInChI=1S/C13H18O2/c1-10-5-3-6-12(11(10)2)15-9-13(14)7-4-8-13/h3,5-6,14H,4,7-9H2,1-2H3
InChIKeyMCCNUFQAJHNWTR-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.60
Rot. Bonds3

About 1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol

1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol (PubChem CID 155896822) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol
PubChem CID155896822
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol
SMILESCc1cccc(OCC2(O)CCC2)c1C
InChIInChI=1S/C13H18O2/c1-10-5-3-6-12(11(10)2)15-9-13(14)7-4-8-13/h3,5-6,14H,4,7-9H2,1-2H3
InChIKeyMCCNUFQAJHNWTR-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene
CID 65008525
2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759697
1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol
CID 65212527
2-(2,3-dimethylphenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716344
1-[[1-(bromomethyl)cyclobutyl]methoxy]-2-fluoro-3-methylbenzene
CID 107657626
N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
CID 62572121
1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol
CID 65213115
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951
1-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 115952861
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9300913
1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 65210710
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol (CID 155896822) is 1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol is Cc1cccc(OCC2(O)CCC2)c1C.
What is the InChIKey of 1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol?
The InChIKey is MCCNUFQAJHNWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-5-3-6-12(11(10)2)15-9-13(14)7-4-8-13/h3,5-6,14H,4,7-9H2,1-2H3.
What are the key properties of 1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol?
1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol is sourced from PubChem (CID 155896822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).