2-(6-bromohexan-2-yloxy)ethoxymethylbenzene

C15H23BrO2 — CID 91560056

IUPAC2-(6-bromohexan-2-yloxy)ethoxymethylbenzene
SMILESCC(CCCCBr)OCCOCc1ccccc1
InChIInChI=1S/C15H23BrO2/c1-14(7-5-6-10-16)18-12-11-17-13-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3
InChIKeyVOZGLGQVJPNNDY-UHFFFAOYSA-N
MW315.25 g/mol
LogP4.17
Rot. Bonds10

About 2-(6-bromohexan-2-yloxy)ethoxymethylbenzene

2-(6-bromohexan-2-yloxy)ethoxymethylbenzene (PubChem CID 91560056) has the molecular formula C15H23BrO2 and a molecular weight of 315.25 g/mol. Its IUPAC name is 2-(6-bromohexan-2-yloxy)ethoxymethylbenzene.

Molecular Properties

Compound Name2-(6-bromohexan-2-yloxy)ethoxymethylbenzene
PubChem CID91560056
Molecular FormulaC15H23BrO2
Molecular Weight315.25 g/mol
Exact Mass314.09
IUPAC Name2-(6-bromohexan-2-yloxy)ethoxymethylbenzene
SMILESCC(CCCCBr)OCCOCc1ccccc1
InChIInChI=1S/C15H23BrO2/c1-14(7-5-6-10-16)18-12-11-17-13-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3
InChIKeyVOZGLGQVJPNNDY-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenylmethoxyethoxy)pentyl carbamate
CID 175093685
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
CID 11338468
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene
CID 165127781
6-bromohexan-2-yloxybenzene
CID 150425058
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
4-(3-phenylmethoxypropoxy)pentane-1-sulfonic acid
CID 174203688
2-octadecan-5-yloxyethoxymethylbenzene
CID 122548106
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
2-(difluoromethoxy)ethoxymethylbenzene
CID 155234334
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromohexan-2-yloxy)ethoxymethylbenzene?
The IUPAC name of 2-(6-bromohexan-2-yloxy)ethoxymethylbenzene (CID 91560056) is 2-(6-bromohexan-2-yloxy)ethoxymethylbenzene.
What is the SMILES notation for 2-(6-bromohexan-2-yloxy)ethoxymethylbenzene?
The canonical SMILES for 2-(6-bromohexan-2-yloxy)ethoxymethylbenzene is CC(CCCCBr)OCCOCc1ccccc1.
What is the InChIKey of 2-(6-bromohexan-2-yloxy)ethoxymethylbenzene?
The InChIKey is VOZGLGQVJPNNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO2/c1-14(7-5-6-10-16)18-12-11-17-13-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3.
What are the key properties of 2-(6-bromohexan-2-yloxy)ethoxymethylbenzene?
2-(6-bromohexan-2-yloxy)ethoxymethylbenzene has a molecular weight of 315.25 g/mol, XLogP of 4.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromohexan-2-yloxy)ethoxymethylbenzene is sourced from PubChem (CID 91560056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).