6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene

C14H15Br — CID 175201885

IUPAC6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene
SMILESCC1=C(c2ccccc2)C(C)(Br)CC=C1
InChIInChI=1S/C14H15Br/c1-11-7-6-10-14(2,15)13(11)12-8-4-3-5-9-12/h3-9H,10H2,1-2H3
InChIKeyPROUFAFMDTUOGE-UHFFFAOYSA-N
MW263.18 g/mol
LogP4.57
Rot. Bonds1

About 6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene

6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene (PubChem CID 175201885) has the molecular formula C14H15Br and a molecular weight of 263.18 g/mol. Its IUPAC name is 6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene
PubChem CID175201885
Molecular FormulaC14H15Br
Molecular Weight263.18 g/mol
Exact Mass262.04
IUPAC Name6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene
SMILESCC1=C(c2ccccc2)C(C)(Br)CC=C1
InChIInChI=1S/C14H15Br/c1-11-7-6-10-14(2,15)13(11)12-8-4-3-5-9-12/h3-9H,10H2,1-2H3
InChIKeyPROUFAFMDTUOGE-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-2,6-dimethyl-1-phenylcyclohexa-1,3-diene?
The IUPAC name of 6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene (CID 175201885) is 6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene.
What is the SMILES notation for 6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene?
The canonical SMILES for 6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene is CC1=C(c2ccccc2)C(C)(Br)CC=C1.
What is the InChIKey of 6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene?
The InChIKey is PROUFAFMDTUOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br/c1-11-7-6-10-14(2,15)13(11)12-8-4-3-5-9-12/h3-9H,10H2,1-2H3.
What are the key properties of 6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene?
6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene has a molecular weight of 263.18 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 175201885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).