4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol

C19H23BrO — CID 3127935

IUPAC4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)C)cc1C(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrO/c1-12(2)16-11-17(13(3)10-18(16)21)19(4,5)14-6-8-15(20)9-7-14/h6-12,21H,1-5H3
InChIKeyNOJLMVKKXFTINR-UHFFFAOYSA-N
MW347.30 g/mol
LogP5.91
Rot. Bonds3

About 4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol

4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol (PubChem CID 3127935) has the molecular formula C19H23BrO and a molecular weight of 347.30 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol
PubChem CID3127935
Molecular FormulaC19H23BrO
Molecular Weight347.30 g/mol
Exact Mass346.09
IUPAC Name4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)C)cc1C(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrO/c1-12(2)16-11-17(13(3)10-18(16)21)19(4,5)14-6-8-15(20)9-7-14/h6-12,21H,1-5H3
InChIKeyNOJLMVKKXFTINR-UHFFFAOYSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol?
The IUPAC name of 4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol (CID 3127935) is 4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol.
What is the SMILES notation for 4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol?
The canonical SMILES for 4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol is Cc1cc(O)c(C(C)C)cc1C(C)(C)c1ccc(Br)cc1.
What is the InChIKey of 4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol?
The InChIKey is NOJLMVKKXFTINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO/c1-12(2)16-11-17(13(3)10-18(16)21)19(4,5)14-6-8-15(20)9-7-14/h6-12,21H,1-5H3.
What are the key properties of 4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol?
4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol has a molecular weight of 347.30 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)propan-2-yl]-5-methyl-2-propan-2-ylphenol is sourced from PubChem (CID 3127935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).