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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Related Compounds

Vermella
CID 203726
4-Bromo-2,6-di-tert-butylphenol
CID 70829
4-bromo-2-[(1R,2S)-1,2-dimethyl-3-methylene-cyclopentyl]-5-methyl-phenol
CID 470278
4-Bromopropofol
CID 10422572
4-Bromo-2-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol
CID 99883
Laurinterol
CID 11471955
4-Bromo-2,3-dimethylphenol
CID 13974656
4-Bromo-2,5-dimethylphenol
CID 13974657
Phenol, 2,4-dibromo-3-methyl-6-(1-methylethyl)-
CID 641215
2-Bromo-6-isopropyl-3-methylphenol
CID 13067772
4-bromo-2-[(1R,3S)-1,3-dimethyl-2-methylidenecyclopentyl]-5-methylphenol
CID 11000916
4-Bromo-2-tert-butylphenol
CID 97068

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).