1-bromo-3-tert-butylnaphthalen-2-ol

C14H15BrO — CID 164578016

IUPAC1-bromo-3-tert-butylnaphthalen-2-ol
SMILESCC(C)(C)c1cc2ccccc2c(Br)c1O
InChIInChI=1S/C14H15BrO/c1-14(2,3)11-8-9-6-4-5-7-10(9)12(15)13(11)16/h4-8,16H,1-3H3
InChIKeyXCVNXCFJPSZUAS-UHFFFAOYSA-N
MW279.18 g/mol
LogP4.61
Rot. Bonds

About 1-bromo-3-tert-butylnaphthalen-2-ol

1-bromo-3-tert-butylnaphthalen-2-ol (PubChem CID 164578016) has the molecular formula C14H15BrO and a molecular weight of 279.18 g/mol. Its IUPAC name is 1-bromo-3-tert-butylnaphthalen-2-ol.

Molecular Properties

Compound Name1-bromo-3-tert-butylnaphthalen-2-ol
PubChem CID164578016
Molecular FormulaC14H15BrO
Molecular Weight279.18 g/mol
Exact Mass278.03
IUPAC Name1-bromo-3-tert-butylnaphthalen-2-ol
SMILESCC(C)(C)c1cc2ccccc2c(Br)c1O
InChIInChI=1S/C14H15BrO/c1-14(2,3)11-8-9-6-4-5-7-10(9)12(15)13(11)16/h4-8,16H,1-3H3
InChIKeyXCVNXCFJPSZUAS-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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Related Compounds

2-bromo-4-tert-butylnaphthalen-1-ol
CID 166610565
9-bromo-2-tert-butylanthracene
CID 23148611
2,3-ditert-butylnaphthalene
CID 14173307
calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride
CID 173370957
10-tert-butylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 140946759
5-tert-butylchrysene
CID 140946805
(4-tert-butylnaphthalen-2-yl)oxyboronic acid
CID 175451277
9-bromo-2,3-dimethylanthracene
CID 77134418
3-bromoanthracen-9-ol
CID 23035853
4-bromo-2-[[1-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-tert-butylphenol
CID 136702081
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
4,10-ditert-butylpyrene
CID 140674457

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-tert-butylnaphthalen-2-ol?
The IUPAC name of 1-bromo-3-tert-butylnaphthalen-2-ol (CID 164578016) is 1-bromo-3-tert-butylnaphthalen-2-ol.
What is the SMILES notation for 1-bromo-3-tert-butylnaphthalen-2-ol?
The canonical SMILES for 1-bromo-3-tert-butylnaphthalen-2-ol is CC(C)(C)c1cc2ccccc2c(Br)c1O.
What is the InChIKey of 1-bromo-3-tert-butylnaphthalen-2-ol?
The InChIKey is XCVNXCFJPSZUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO/c1-14(2,3)11-8-9-6-4-5-7-10(9)12(15)13(11)16/h4-8,16H,1-3H3.
What are the key properties of 1-bromo-3-tert-butylnaphthalen-2-ol?
1-bromo-3-tert-butylnaphthalen-2-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 1-bromo-3-tert-butylnaphthalen-2-ol is sourced from PubChem (CID 164578016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).