2-bromo-5-(1-phenylpropyl)-4-propylphenol

C18H21BrO — CID 171562921

IUPAC2-bromo-5-(1-phenylpropyl)-4-propylphenol
SMILESCCCc1cc(Br)c(O)cc1C(CC)c1ccccc1
InChIInChI=1S/C18H21BrO/c1-3-8-14-11-17(19)18(20)12-16(14)15(4-2)13-9-6-5-7-10-13/h5-7,9-12,15,20H,3-4,8H2,1-2H3
InChIKeyVGVZOPGRZFRFCH-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.65
Rot. Bonds5

About 2-bromo-5-(1-phenylpropyl)-4-propylphenol

2-bromo-5-(1-phenylpropyl)-4-propylphenol (PubChem CID 171562921) has the molecular formula C18H21BrO and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-bromo-5-(1-phenylpropyl)-4-propylphenol.

Molecular Properties

Compound Name2-bromo-5-(1-phenylpropyl)-4-propylphenol
PubChem CID171562921
Molecular FormulaC18H21BrO
Molecular Weight333.27 g/mol
Exact Mass332.08
IUPAC Name2-bromo-5-(1-phenylpropyl)-4-propylphenol
SMILESCCCc1cc(Br)c(O)cc1C(CC)c1ccccc1
InChIInChI=1S/C18H21BrO/c1-3-8-14-11-17(19)18(20)12-16(14)15(4-2)13-9-6-5-7-10-13/h5-7,9-12,15,20H,3-4,8H2,1-2H3
InChIKeyVGVZOPGRZFRFCH-UHFFFAOYSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
4-[1-(4-hydroxyphenyl)propyl]-2-propylphenol
CID 68583785
4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol
CID 71369615
2-[[2-hydroxy-5-nonyl-3-(1-phenylpropyl)phenyl]methyl]-4-nonyl-6-(1-phenylpropyl)phenol
CID 67804775
4,6-dipropylbenzene-1,3-diol
CID 70496109
5-(1-phenylbutyl)benzene-1,3-diol
CID 151074904
4-bromo-5-butyl-2-propylphenol
CID 118092192
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
oxalic acid;1-phenylpropylbenzene
CID 67824543
4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one
CID 177372129
4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine
CID 19849896
2-(1-phenylpentyl)phenol
CID 19601156

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-phenylpropyl)-4-propylphenol?
The IUPAC name of 2-bromo-5-(1-phenylpropyl)-4-propylphenol (CID 171562921) is 2-bromo-5-(1-phenylpropyl)-4-propylphenol.
What is the SMILES notation for 2-bromo-5-(1-phenylpropyl)-4-propylphenol?
The canonical SMILES for 2-bromo-5-(1-phenylpropyl)-4-propylphenol is CCCc1cc(Br)c(O)cc1C(CC)c1ccccc1.
What is the InChIKey of 2-bromo-5-(1-phenylpropyl)-4-propylphenol?
The InChIKey is VGVZOPGRZFRFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO/c1-3-8-14-11-17(19)18(20)12-16(14)15(4-2)13-9-6-5-7-10-13/h5-7,9-12,15,20H,3-4,8H2,1-2H3.
What are the key properties of 2-bromo-5-(1-phenylpropyl)-4-propylphenol?
2-bromo-5-(1-phenylpropyl)-4-propylphenol has a molecular weight of 333.27 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-phenylpropyl)-4-propylphenol is sourced from PubChem (CID 171562921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).