1-(3,4-dimethylphenyl)cyclobutan-1-ol

C12H16O — CID 79081030

IUPAC1-(3,4-dimethylphenyl)cyclobutan-1-ol
SMILESCc1ccc(C2(O)CCC2)cc1C
InChIInChI=1S/C12H16O/c1-9-4-5-11(8-10(9)2)12(13)6-3-7-12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyCWDXQVALJFHFGP-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.67
Rot. Bonds1

About 1-(3,4-dimethylphenyl)cyclobutan-1-ol

1-(3,4-dimethylphenyl)cyclobutan-1-ol (PubChem CID 79081030) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)cyclobutan-1-ol
PubChem CID79081030
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-(3,4-dimethylphenyl)cyclobutan-1-ol
SMILESCc1ccc(C2(O)CCC2)cc1C
InChIInChI=1S/C12H16O/c1-9-4-5-11(8-10(9)2)12(13)6-3-7-12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyCWDXQVALJFHFGP-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)cyclobutan-1-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)cyclobutan-1-ol (CID 79081030) is 1-(3,4-dimethylphenyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)cyclobutan-1-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)cyclobutan-1-ol is Cc1ccc(C2(O)CCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)cyclobutan-1-ol?
The InChIKey is CWDXQVALJFHFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9-4-5-11(8-10(9)2)12(13)6-3-7-12/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)cyclobutan-1-ol?
1-(3,4-dimethylphenyl)cyclobutan-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)cyclobutan-1-ol is sourced from PubChem (CID 79081030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).