4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol

C15H17BrO2 — CID 79359399

IUPAC4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H17BrO2/c1-15(2,17)7-8-18-14-6-4-11-9-13(16)5-3-12(11)10-14/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyYCDJZJOFPQAREC-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.14
Rot. Bonds4

About 4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol

4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol (PubChem CID 79359399) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol
PubChem CID79359399
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H17BrO2/c1-15(2,17)7-8-18-14-6-4-11-9-13(16)5-3-12(11)10-14/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyYCDJZJOFPQAREC-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
2-bromo-6-(4-bromobutoxy)naphthalene
CID 43165163
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride
CID 54595906
methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate
CID 28879850
3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid
CID 79622347
2-bromo-7-ethoxynaphthalene
CID 22240149
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine
CID 10133896
2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine
CID 62570775
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride
CID 10133895

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol?
The IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol (CID 79359399) is 4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol.
What is the SMILES notation for 4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol?
The canonical SMILES for 4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol is CC(C)(O)CCOc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol?
The InChIKey is YCDJZJOFPQAREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2/c1-15(2,17)7-8-18-14-6-4-11-9-13(16)5-3-12(11)10-14/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of 4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol?
4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol has a molecular weight of 309.20 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol is sourced from PubChem (CID 79359399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).