2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol

C15H20Br2O — CID 11090123

IUPAC2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol
SMILESCC(C)=CCC[C@@H](C)c1cc(Br)c(C)c(Br)c1O
InChIInChI=1S/C15H20Br2O/c1-9(2)6-5-7-10(3)12-8-13(16)11(4)14(17)15(12)18/h6,8,10,18H,5,7H2,1-4H3/t10-/m1/s1
InChIKeyMPISBRNNLDJMGS-SNVBAGLBSA-N
MW376.13 g/mol
LogP6.08
Rot. Bonds4

About 2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol

2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol (PubChem CID 11090123) has the molecular formula C15H20Br2O and a molecular weight of 376.13 g/mol. Its IUPAC name is 2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol.

Molecular Properties

Compound Name2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol
PubChem CID11090123
Molecular FormulaC15H20Br2O
Molecular Weight376.13 g/mol
Exact Mass373.99
IUPAC Name2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol
SMILESCC(C)=CCC[C@@H](C)c1cc(Br)c(C)c(Br)c1O
InChIInChI=1S/C15H20Br2O/c1-9(2)6-5-7-10(3)12-8-13(16)11(4)14(17)15(12)18/h6,8,10,18H,5,7H2,1-4H3/t10-/m1/s1
InChIKeyMPISBRNNLDJMGS-SNVBAGLBSA-N
XLogP6.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.13
LogP ≤ 56.08
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 2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol?
The IUPAC name of 2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol (CID 11090123) is 2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol.
What is the SMILES notation for 2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol?
The canonical SMILES for 2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol is CC(C)=CCC[C@@H](C)c1cc(Br)c(C)c(Br)c1O.
What is the InChIKey of 2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol?
The InChIKey is MPISBRNNLDJMGS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20Br2O/c1-9(2)6-5-7-10(3)12-8-13(16)11(4)14(17)15(12)18/h6,8,10,18H,5,7H2,1-4H3/t10-/m1/s1.
What are the key properties of 2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol?
2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol has a molecular weight of 376.13 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol is sourced from PubChem (CID 11090123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).