2-bromo-6-(4-propylphenyl)phenol

C15H15BrO — CID 162716525

IUPAC2-bromo-6-(4-propylphenyl)phenol
SMILESCCCc1ccc(-c2cccc(Br)c2O)cc1
InChIInChI=1S/C15H15BrO/c1-2-4-11-7-9-12(10-8-11)13-5-3-6-14(16)15(13)17/h3,5-10,17H,2,4H2,1H3
InChIKeyLLBWYUVAENYQDR-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.77
Rot. Bonds3

About 2-bromo-6-(4-propylphenyl)phenol

2-bromo-6-(4-propylphenyl)phenol (PubChem CID 162716525) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-bromo-6-(4-propylphenyl)phenol.

Molecular Properties

Compound Name2-bromo-6-(4-propylphenyl)phenol
PubChem CID162716525
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name2-bromo-6-(4-propylphenyl)phenol
SMILESCCCc1ccc(-c2cccc(Br)c2O)cc1
InChIInChI=1S/C15H15BrO/c1-2-4-11-7-9-12(10-8-11)13-5-3-6-14(16)15(13)17/h3,5-10,17H,2,4H2,1H3
InChIKeyLLBWYUVAENYQDR-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-propylphenyl)phenol?
The IUPAC name of 2-bromo-6-(4-propylphenyl)phenol (CID 162716525) is 2-bromo-6-(4-propylphenyl)phenol.
What is the SMILES notation for 2-bromo-6-(4-propylphenyl)phenol?
The canonical SMILES for 2-bromo-6-(4-propylphenyl)phenol is CCCc1ccc(-c2cccc(Br)c2O)cc1.
What is the InChIKey of 2-bromo-6-(4-propylphenyl)phenol?
The InChIKey is LLBWYUVAENYQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-2-4-11-7-9-12(10-8-11)13-5-3-6-14(16)15(13)17/h3,5-10,17H,2,4H2,1H3.
What are the key properties of 2-bromo-6-(4-propylphenyl)phenol?
2-bromo-6-(4-propylphenyl)phenol has a molecular weight of 291.19 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-propylphenyl)phenol is sourced from PubChem (CID 162716525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).