3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol

C14H19BrO — CID 81422777

IUPAC3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol
SMILESCCC1(C)C(O)C(C)C1c1ccc(Br)cc1
InChIInChI=1S/C14H19BrO/c1-4-14(3)12(9(2)13(14)16)10-5-7-11(15)8-6-10/h5-9,12-13,16H,4H2,1-3H3
InChIKeyPHFKFUUESQYLAD-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.96
Rot. Bonds2

About 3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol

3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol (PubChem CID 81422777) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol
PubChem CID81422777
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol
SMILESCCC1(C)C(O)C(C)C1c1ccc(Br)cc1
InChIInChI=1S/C14H19BrO/c1-4-14(3)12(9(2)13(14)16)10-5-7-11(15)8-6-10/h5-9,12-13,16H,4H2,1-3H3
InChIKeyPHFKFUUESQYLAD-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol (CID 81422777) is 3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol is CCC1(C)C(O)C(C)C1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol?
The InChIKey is PHFKFUUESQYLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-4-14(3)12(9(2)13(14)16)10-5-7-11(15)8-6-10/h5-9,12-13,16H,4H2,1-3H3.
What are the key properties of 3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol?
3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol has a molecular weight of 283.21 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-ethyl-2,4-dimethylcyclobutan-1-ol is sourced from PubChem (CID 81422777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).