6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene

C18H19BrO2 — CID 63457392

IUPAC6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene
SMILESBrc1cccc(OCCOc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C18H19BrO2/c19-16-6-3-7-17(13-16)20-10-11-21-18-9-8-14-4-1-2-5-15(14)12-18/h3,6-9,12-13H,1-2,4-5,10-11H2
InChIKeyXGDKUJVONWGZCN-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.79
Rot. Bonds5

About 6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene

6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63457392) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene
PubChem CID63457392
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene
SMILESBrc1cccc(OCCOc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C18H19BrO2/c19-16-6-3-7-17(13-16)20-10-11-21-18-9-8-14-4-1-2-5-15(14)12-18/h3,6-9,12-13H,1-2,4-5,10-11H2
InChIKeyXGDKUJVONWGZCN-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60645315
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101586
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene
CID 66321596
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
N-[(4-bromothiophen-2-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 63516589

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene (CID 63457392) is 6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene is Brc1cccc(OCCOc2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XGDKUJVONWGZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c19-16-6-3-7-17(13-16)20-10-11-21-18-9-8-14-4-1-2-5-15(14)12-18/h3,6-9,12-13H,1-2,4-5,10-11H2.
What are the key properties of 6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene?
6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 347.25 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63457392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).