2-bromo-4-tert-butyl-1-phenylmethoxybenzene

C17H19BrO — CID 15152030

IUPAC2-bromo-4-tert-butyl-1-phenylmethoxybenzene
SMILESCC(C)(C)c1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C17H19BrO/c1-17(2,3)14-9-10-16(15(18)11-14)19-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKeyKZHKNVNBJZCORJ-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.33
Rot. Bonds3

About 2-bromo-4-tert-butyl-1-phenylmethoxybenzene

2-bromo-4-tert-butyl-1-phenylmethoxybenzene (PubChem CID 15152030) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 2-bromo-4-tert-butyl-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-bromo-4-tert-butyl-1-phenylmethoxybenzene
PubChem CID15152030
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name2-bromo-4-tert-butyl-1-phenylmethoxybenzene
SMILESCC(C)(C)c1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C17H19BrO/c1-17(2,3)14-9-10-16(15(18)11-14)19-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKeyKZHKNVNBJZCORJ-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine
CID 170931613
1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894728
2-[(2-bromo-4-tert-butylphenoxy)methyl]benzoic acid
CID 22680482
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol
CID 59544164
2-bromo-4-nitroso-1-phenylmethoxybenzene
CID 130451234
2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine
CID 117441509
5-[(2-bromo-4-tert-butylphenoxy)methyl]furan-2-carboxylic acid
CID 20993310
2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene
CID 176513448
4-bromo-1-tert-butyl-2-phenylmethoxybenzene
CID 90310776
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17157143
1-[3-(2-bromo-4-tert-butylphenoxy)propyl]-3-(2-phenylethyl)urea
CID 108881954

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butyl-1-phenylmethoxybenzene?
The IUPAC name of 2-bromo-4-tert-butyl-1-phenylmethoxybenzene (CID 15152030) is 2-bromo-4-tert-butyl-1-phenylmethoxybenzene.
What is the SMILES notation for 2-bromo-4-tert-butyl-1-phenylmethoxybenzene?
The canonical SMILES for 2-bromo-4-tert-butyl-1-phenylmethoxybenzene is CC(C)(C)c1ccc(OCc2ccccc2)c(Br)c1.
What is the InChIKey of 2-bromo-4-tert-butyl-1-phenylmethoxybenzene?
The InChIKey is KZHKNVNBJZCORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-17(2,3)14-9-10-16(15(18)11-14)19-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3.
What are the key properties of 2-bromo-4-tert-butyl-1-phenylmethoxybenzene?
2-bromo-4-tert-butyl-1-phenylmethoxybenzene has a molecular weight of 319.24 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butyl-1-phenylmethoxybenzene is sourced from PubChem (CID 15152030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).