(2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane

C16H21BrO2 — CID 125485873

IUPAC(2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane
SMILESBrc1ccc2c(c1)C[C@@H](CO[C@@H]1CCCCO1)CC2
InChIInChI=1S/C16H21BrO2/c17-15-7-6-13-5-4-12(9-14(13)10-15)11-19-16-3-1-2-8-18-16/h6-7,10,12,16H,1-5,8-9,11H2/t12-,16+/m0/s1
InChIKeyADPKFNMMDJSVQU-BLLLJJGKSA-N
MW325.25 g/mol
LogP4.10
Rot. Bonds3

About (2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane

(2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane (PubChem CID 125485873) has the molecular formula C16H21BrO2 and a molecular weight of 325.25 g/mol. Its IUPAC name is (2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane.

Molecular Properties

Compound Name(2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane
PubChem CID125485873
Molecular FormulaC16H21BrO2
Molecular Weight325.25 g/mol
Exact Mass324.07
IUPAC Name(2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane
SMILESBrc1ccc2c(c1)C[C@@H](CO[C@@H]1CCCCO1)CC2
InChIInChI=1S/C16H21BrO2/c17-15-7-6-13-5-4-12(9-14(13)10-15)11-19-16-3-1-2-8-18-16/h6-7,10,12,16H,1-5,8-9,11H2/t12-,16+/m0/s1
InChIKeyADPKFNMMDJSVQU-BLLLJJGKSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane?
The IUPAC name of (2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane (CID 125485873) is (2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane.
What is the SMILES notation for (2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane?
The canonical SMILES for (2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane is Brc1ccc2c(c1)C[C@@H](CO[C@@H]1CCCCO1)CC2.
What is the InChIKey of (2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane?
The InChIKey is ADPKFNMMDJSVQU-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H21BrO2/c17-15-7-6-13-5-4-12(9-14(13)10-15)11-19-16-3-1-2-8-18-16/h6-7,10,12,16H,1-5,8-9,11H2/t12-,16+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane?
(2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane has a molecular weight of 325.25 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane is sourced from PubChem (CID 125485873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).