4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol

C15H19BrO — CID 3015472

IUPAC4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol
SMILESC=C1C(C)CCC1(C)c1cc(Br)c(C)cc1O
InChIInChI=1S/C15H19BrO/c1-9-5-6-15(4,11(9)3)12-8-13(16)10(2)7-14(12)17/h7-9,17H,3,5-6H2,1-2,4H3
InChIKeyBASXQIKZPQBJIT-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.71
Rot. Bonds1

About 4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol

4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol (PubChem CID 3015472) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol.

Molecular Properties

Compound Name4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol
PubChem CID3015472
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol
SMILESC=C1C(C)CCC1(C)c1cc(Br)c(C)cc1O
InChIInChI=1S/C15H19BrO/c1-9-5-6-15(4,11(9)3)12-8-13(16)10(2)7-14(12)17/h7-9,17H,3,5-6H2,1-2,4H3
InChIKeyBASXQIKZPQBJIT-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol?
The IUPAC name of 4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol (CID 3015472) is 4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol.
What is the SMILES notation for 4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol?
The canonical SMILES for 4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol is C=C1C(C)CCC1(C)c1cc(Br)c(C)cc1O.
What is the InChIKey of 4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol?
The InChIKey is BASXQIKZPQBJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c1-9-5-6-15(4,11(9)3)12-8-13(16)10(2)7-14(12)17/h7-9,17H,3,5-6H2,1-2,4H3.
What are the key properties of 4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol?
4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol has a molecular weight of 295.22 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol is sourced from PubChem (CID 3015472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).