2-bromo-4-tert-butylnaphthalen-1-ol

C14H15BrO — CID 166610565

IUPAC2-bromo-4-tert-butylnaphthalen-1-ol
SMILESCC(C)(C)c1cc(Br)c(O)c2ccccc12
InChIInChI=1S/C14H15BrO/c1-14(2,3)11-8-12(15)13(16)10-7-5-4-6-9(10)11/h4-8,16H,1-3H3
InChIKeyAARZMMARJXHUGT-UHFFFAOYSA-N
MW279.18 g/mol
LogP4.61
Rot. Bonds

About 2-bromo-4-tert-butylnaphthalen-1-ol

2-bromo-4-tert-butylnaphthalen-1-ol (PubChem CID 166610565) has the molecular formula C14H15BrO and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-bromo-4-tert-butylnaphthalen-1-ol.

Molecular Properties

Compound Name2-bromo-4-tert-butylnaphthalen-1-ol
PubChem CID166610565
Molecular FormulaC14H15BrO
Molecular Weight279.18 g/mol
Exact Mass278.03
IUPAC Name2-bromo-4-tert-butylnaphthalen-1-ol
SMILESCC(C)(C)c1cc(Br)c(O)c2ccccc12
InChIInChI=1S/C14H15BrO/c1-14(2,3)11-8-12(15)13(16)10-7-5-4-6-9(10)11/h4-8,16H,1-3H3
InChIKeyAARZMMARJXHUGT-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butylnaphthalen-1-ol?
The IUPAC name of 2-bromo-4-tert-butylnaphthalen-1-ol (CID 166610565) is 2-bromo-4-tert-butylnaphthalen-1-ol.
What is the SMILES notation for 2-bromo-4-tert-butylnaphthalen-1-ol?
The canonical SMILES for 2-bromo-4-tert-butylnaphthalen-1-ol is CC(C)(C)c1cc(Br)c(O)c2ccccc12.
What is the InChIKey of 2-bromo-4-tert-butylnaphthalen-1-ol?
The InChIKey is AARZMMARJXHUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO/c1-14(2,3)11-8-12(15)13(16)10-7-5-4-6-9(10)11/h4-8,16H,1-3H3.
What are the key properties of 2-bromo-4-tert-butylnaphthalen-1-ol?
2-bromo-4-tert-butylnaphthalen-1-ol has a molecular weight of 279.18 g/mol, XLogP of 4.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butylnaphthalen-1-ol is sourced from PubChem (CID 166610565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).