4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol

C19H23BrO — CID 144933427

IUPAC4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol
SMILESCCCc1cccc(C)c1CCc1cc(O)c(C)cc1Br
InChIInChI=1S/C19H23BrO/c1-4-6-15-8-5-7-13(2)17(15)10-9-16-12-19(21)14(3)11-18(16)20/h5,7-8,11-12,21H,4,6,9-10H2,1-3H3
InChIKeyXIZIPSACZOAYPP-UHFFFAOYSA-N
MW347.30 g/mol
LogP5.51
Rot. Bonds5

About 4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol

4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol (PubChem CID 144933427) has the molecular formula C19H23BrO and a molecular weight of 347.30 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol
PubChem CID144933427
Molecular FormulaC19H23BrO
Molecular Weight347.30 g/mol
Exact Mass346.09
IUPAC Name4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol
SMILESCCCc1cccc(C)c1CCc1cc(O)c(C)cc1Br
InChIInChI=1S/C19H23BrO/c1-4-6-15-8-5-7-13(2)17(15)10-9-16-12-19(21)14(3)11-18(16)20/h5,7-8,11-12,21H,4,6,9-10H2,1-3H3
InChIKeyXIZIPSACZOAYPP-UHFFFAOYSA-N
XLogP5.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol?
The IUPAC name of 4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol (CID 144933427) is 4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol.
What is the SMILES notation for 4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol?
The canonical SMILES for 4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol is CCCc1cccc(C)c1CCc1cc(O)c(C)cc1Br.
What is the InChIKey of 4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol?
The InChIKey is XIZIPSACZOAYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO/c1-4-6-15-8-5-7-13(2)17(15)10-9-16-12-19(21)14(3)11-18(16)20/h5,7-8,11-12,21H,4,6,9-10H2,1-3H3.
What are the key properties of 4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol?
4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol has a molecular weight of 347.30 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[2-(2-methyl-6-propylphenyl)ethyl]phenol is sourced from PubChem (CID 144933427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).