4-bromo-2-tert-butyl-1-propoxybenzene

C13H19BrO — CID 22619457

IUPAC4-bromo-2-tert-butyl-1-propoxybenzene
SMILESCCCOc1ccc(Br)cc1C(C)(C)C
InChIInChI=1S/C13H19BrO/c1-5-8-15-12-7-6-10(14)9-11(12)13(2,3)4/h6-7,9H,5,8H2,1-4H3
InChIKeyOISOWCACUQPZFE-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.54
Rot. Bonds3

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

4-bromo-2-tert-butyl-1-propoxybenzene (PubChem CID 22619457) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-1-propoxybenzene.

Molecular Properties

Compound Name4-bromo-2-tert-butyl-1-propoxybenzene
PubChem CID22619457
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Name4-bromo-2-tert-butyl-1-propoxybenzene
SMILESCCCOc1ccc(Br)cc1C(C)(C)C
InChIInChI=1S/C13H19BrO/c1-5-8-15-12-7-6-10(14)9-11(12)13(2,3)4/h6-7,9H,5,8H2,1-4H3
InChIKeyOISOWCACUQPZFE-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-tert-butylphenyl) 4-propoxybenzoate
CID 17074476
2-tert-butyl-4-(3-chloropropyl)-1-propoxybenzene
CID 83934424
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hexanehydrazide
CID 17051882
5-bromo-2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]benzonitrile
CID 20987774
4-bromo-1,2-dibutoxybenzene
CID 10870333
4-[(4-bromo-2-tert-butylphenoxy)methyl]benzoic acid
CID 20988596
2-tert-butyl-4-pent-4-yn-2-yl-1-propoxybenzene
CID 83934452
2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine
CID 83934434
4-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-2-fluoroaniline
CID 43759707
2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide
CID 17051658
4-bromo-2-(4-chloro-2-methylbutan-2-yl)-1-ethoxybenzene
CID 79838502
4-bromo-2-nitro-1-propoxybenzene
CID 61373992

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-1-propoxybenzene?
The IUPAC name of 4-bromo-2-tert-butyl-1-propoxybenzene (CID 22619457) is 4-bromo-2-tert-butyl-1-propoxybenzene.
What is the SMILES notation for 4-bromo-2-tert-butyl-1-propoxybenzene?
The canonical SMILES for 4-bromo-2-tert-butyl-1-propoxybenzene is CCCOc1ccc(Br)cc1C(C)(C)C.
What is the InChIKey of 4-bromo-2-tert-butyl-1-propoxybenzene?
The InChIKey is OISOWCACUQPZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO/c1-5-8-15-12-7-6-10(14)9-11(12)13(2,3)4/h6-7,9H,5,8H2,1-4H3.
What are the key properties of 4-bromo-2-tert-butyl-1-propoxybenzene?
4-bromo-2-tert-butyl-1-propoxybenzene has a molecular weight of 271.20 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butyl-1-propoxybenzene is sourced from PubChem (CID 22619457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).