3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol

C14H19BrO2 — CID 86697223

IUPAC3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol
SMILESCc1cc(OC2CCC(C)(O)C2)cc(C)c1Br
InChIInChI=1S/C14H19BrO2/c1-9-6-12(7-10(2)13(9)15)17-11-4-5-14(3,16)8-11/h6-7,11,16H,4-5,8H2,1-3H3
InChIKeyZNSPJBHNUFILRD-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.75
Rot. Bonds2

About 3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol

3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol (PubChem CID 86697223) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol
PubChem CID86697223
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol
SMILESCc1cc(OC2CCC(C)(O)C2)cc(C)c1Br
InChIInChI=1S/C14H19BrO2/c1-9-6-12(7-10(2)13(9)15)17-11-4-5-14(3,16)8-11/h6-7,11,16H,4-5,8H2,1-3H3
InChIKeyZNSPJBHNUFILRD-UHFFFAOYSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol?
The IUPAC name of 3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol (CID 86697223) is 3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol?
The canonical SMILES for 3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol is Cc1cc(OC2CCC(C)(O)C2)cc(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol?
The InChIKey is ZNSPJBHNUFILRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-9-6-12(7-10(2)13(9)15)17-11-4-5-14(3,16)8-11/h6-7,11,16H,4-5,8H2,1-3H3.
What are the key properties of 3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol?
3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol has a molecular weight of 299.21 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol is sourced from PubChem (CID 86697223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).