2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane

C16H21BrO2 — CID 59218386

IUPAC2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane
SMILESBrc1c(COC2CCCCO2)ccc2c1CCCC2
InChIInChI=1S/C16H21BrO2/c17-16-13(11-19-15-7-3-4-10-18-15)9-8-12-5-1-2-6-14(12)16/h8-9,15H,1-7,10-11H2
InChIKeyJQXAKWFKRBGDEC-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.37
Rot. Bonds3

About 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane

2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane (PubChem CID 59218386) has the molecular formula C16H21BrO2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane.

Molecular Properties

Compound Name2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane
PubChem CID59218386
Molecular FormulaC16H21BrO2
Molecular Weight325.25 g/mol
Exact Mass324.07
IUPAC Name2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane
SMILESBrc1c(COC2CCCCO2)ccc2c1CCCC2
InChIInChI=1S/C16H21BrO2/c17-16-13(11-19-15-7-3-4-10-18-15)9-8-12-5-1-2-6-14(12)16/h8-9,15H,1-7,10-11H2
InChIKeyJQXAKWFKRBGDEC-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
2-[(2-bromothiophen-3-yl)methoxy]oxane
CID 20815950
2-[(4-bromo-2-ethylphenyl)methoxy]oxane
CID 86762394
2-bromo-5-(oxan-2-yloxymethyl)pyridine
CID 18469682
3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline
CID 71233408
4-(oxan-2-yloxymethyl)-3-(trifluoromethyl)aniline
CID 91433320
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
2-bromo-4-(oxan-2-yloxymethyl)benzonitrile
CID 90092021
2-[[3-(bromomethyl)-4-fluorophenyl]methoxy]oxane
CID 67128227

Frequently Asked Questions

What is the IUPAC name of 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane?
The IUPAC name of 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane (CID 59218386) is 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane.
What is the SMILES notation for 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane?
The canonical SMILES for 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane is Brc1c(COC2CCCCO2)ccc2c1CCCC2.
What is the InChIKey of 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane?
The InChIKey is JQXAKWFKRBGDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrO2/c17-16-13(11-19-15-7-3-4-10-18-15)9-8-12-5-1-2-6-14(12)16/h8-9,15H,1-7,10-11H2.
What are the key properties of 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane?
2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane has a molecular weight of 325.25 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane is sourced from PubChem (CID 59218386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).