7-bromoheptoxymethylbenzene

C14H21BrO — CID 70131025

IUPAC7-bromoheptoxymethylbenzene
SMILESBrCCCCCCCOCc1ccccc1
InChIInChI=1S/C14H21BrO/c15-11-7-2-1-3-8-12-16-13-14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2
InChIKeyBZMIZZYCYWAKIC-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.55
Rot. Bonds9

About 7-bromoheptoxymethylbenzene

7-bromoheptoxymethylbenzene (PubChem CID 70131025) has the molecular formula C14H21BrO and a molecular weight of 285.22 g/mol. Its IUPAC name is 7-bromoheptoxymethylbenzene.

Molecular Properties

Compound Name7-bromoheptoxymethylbenzene
PubChem CID70131025
Molecular FormulaC14H21BrO
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name7-bromoheptoxymethylbenzene
SMILESBrCCCCCCCOCc1ccccc1
InChIInChI=1S/C14H21BrO/c15-11-7-2-1-3-8-12-16-13-14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2
InChIKeyBZMIZZYCYWAKIC-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.55
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

CID 7276
CID 7276
CID 7657
CID 7657
CID 62576
CID 62576
CID 114946
CID 114946
CID 10873
CID 10873
CID 61134
CID 61134
CID 10869
CID 10869
CID 81239
CID 81239
CID 114705
CID 114705
CID 84542
CID 84542
CID 347508
CID 347508
CID 31227
CID 31227

Frequently Asked Questions

What is the IUPAC name of 7-bromoheptoxymethylbenzene?
The IUPAC name of 7-bromoheptoxymethylbenzene (CID 70131025) is 7-bromoheptoxymethylbenzene.
What is the SMILES notation for 7-bromoheptoxymethylbenzene?
The canonical SMILES for 7-bromoheptoxymethylbenzene is BrCCCCCCCOCc1ccccc1.
What is the InChIKey of 7-bromoheptoxymethylbenzene?
The InChIKey is BZMIZZYCYWAKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c15-11-7-2-1-3-8-12-16-13-14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2.
What are the key properties of 7-bromoheptoxymethylbenzene?
7-bromoheptoxymethylbenzene has a molecular weight of 285.22 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromoheptoxymethylbenzene is sourced from PubChem (CID 70131025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).