6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol

C11H17BrO — CID 141264244

IUPAC6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol
SMILESCCCC1=C(C)C(Br)C(C)(O)C=C1
InChIInChI=1S/C11H17BrO/c1-4-5-9-6-7-11(3,13)10(12)8(9)2/h6-7,10,13H,4-5H2,1-3H3
InChIKeyQOZDYJAYTLVDRK-UHFFFAOYSA-N
MW245.16 g/mol
LogP3.19
Rot. Bonds2

About 6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol

6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol (PubChem CID 141264244) has the molecular formula C11H17BrO and a molecular weight of 245.16 g/mol. Its IUPAC name is 6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol
PubChem CID141264244
Molecular FormulaC11H17BrO
Molecular Weight245.16 g/mol
Exact Mass244.05
IUPAC Name6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol
SMILESCCCC1=C(C)C(Br)C(C)(O)C=C1
InChIInChI=1S/C11H17BrO/c1-4-5-9-6-7-11(3,13)10(12)8(9)2/h6-7,10,13H,4-5H2,1-3H3
InChIKeyQOZDYJAYTLVDRK-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol (CID 141264244) is 6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol is CCCC1=C(C)C(Br)C(C)(O)C=C1.
What is the InChIKey of 6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol?
The InChIKey is QOZDYJAYTLVDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO/c1-4-5-9-6-7-11(3,13)10(12)8(9)2/h6-7,10,13H,4-5H2,1-3H3.
What are the key properties of 6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol?
6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol has a molecular weight of 245.16 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,5-dimethyl-4-propylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 141264244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).