15-bromopentadecoxymethylbenzene

C22H37BrO — CID 11338468

IUPAC15-bromopentadecoxymethylbenzene
SMILESBrCCCCCCCCCCCCCCCOCc1ccccc1
InChIInChI=1S/C22H37BrO/c23-19-15-10-8-6-4-2-1-3-5-7-9-11-16-20-24-21-22-17-13-12-14-18-22/h12-14,17-18H,1-11,15-16,19-21H2
InChIKeyBEKKMWHCZYSCIU-UHFFFAOYSA-N
MW397.44 g/mol
LogP7.67
Rot. Bonds17

About 15-bromopentadecoxymethylbenzene

15-bromopentadecoxymethylbenzene (PubChem CID 11338468) has the molecular formula C22H37BrO and a molecular weight of 397.44 g/mol. Its IUPAC name is 15-bromopentadecoxymethylbenzene.

Molecular Properties

Compound Name15-bromopentadecoxymethylbenzene
PubChem CID11338468
Molecular FormulaC22H37BrO
Molecular Weight397.44 g/mol
Exact Mass396.20
IUPAC Name15-bromopentadecoxymethylbenzene
SMILESBrCCCCCCCCCCCCCCCOCc1ccccc1
InChIInChI=1S/C22H37BrO/c23-19-15-10-8-6-4-2-1-3-5-7-9-11-16-20-24-21-22-17-13-12-14-18-22/h12-14,17-18H,1-11,15-16,19-21H2
InChIKeyBEKKMWHCZYSCIU-UHFFFAOYSA-N
XLogP7.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.44
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
(9-bromo-9,9-dideuteriononoxy)methylbenzene
CID 162744112
4-(8-bromooctoxy)butylbenzene
CID 67807190
1-bromotridecane;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-dodecoxyethoxymethylbenzene;ethane;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 159782559
1-bromo-3-(5-bromopentoxymethyl)benzene
CID 82828091
1-(5-bromopentoxy)-2-phenylmethoxybenzene
CID 70388303
1-(8-bromooctoxy)-4-phenylmethoxybenzene
CID 86051798
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
tris(8-phenylmethoxyoctyl)borane
CID 102473578
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919

Frequently Asked Questions

What is the IUPAC name of 15-bromopentadecoxymethylbenzene?
The IUPAC name of 15-bromopentadecoxymethylbenzene (CID 11338468) is 15-bromopentadecoxymethylbenzene.
What is the SMILES notation for 15-bromopentadecoxymethylbenzene?
The canonical SMILES for 15-bromopentadecoxymethylbenzene is BrCCCCCCCCCCCCCCCOCc1ccccc1.
What is the InChIKey of 15-bromopentadecoxymethylbenzene?
The InChIKey is BEKKMWHCZYSCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37BrO/c23-19-15-10-8-6-4-2-1-3-5-7-9-11-16-20-24-21-22-17-13-12-14-18-22/h12-14,17-18H,1-11,15-16,19-21H2.
What are the key properties of 15-bromopentadecoxymethylbenzene?
15-bromopentadecoxymethylbenzene has a molecular weight of 397.44 g/mol, XLogP of 7.67, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-bromopentadecoxymethylbenzene is sourced from PubChem (CID 11338468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).