(6-bromo-5-methylhexoxy)methylbenzene

C14H21BrO — CID 130588716

IUPAC(6-bromo-5-methylhexoxy)methylbenzene
SMILESCC(CBr)CCCCOCc1ccccc1
InChIInChI=1S/C14H21BrO/c1-13(11-15)7-5-6-10-16-12-14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3
InChIKeyMWNQNMWULSKJCZ-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.40
Rot. Bonds8

About (6-bromo-5-methylhexoxy)methylbenzene

(6-bromo-5-methylhexoxy)methylbenzene (PubChem CID 130588716) has the molecular formula C14H21BrO and a molecular weight of 285.22 g/mol. Its IUPAC name is (6-bromo-5-methylhexoxy)methylbenzene.

Molecular Properties

Compound Name(6-bromo-5-methylhexoxy)methylbenzene
PubChem CID130588716
Molecular FormulaC14H21BrO
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name(6-bromo-5-methylhexoxy)methylbenzene
SMILESCC(CBr)CCCCOCc1ccccc1
InChIInChI=1S/C14H21BrO/c1-13(11-15)7-5-6-10-16-12-14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3
InChIKeyMWNQNMWULSKJCZ-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.40
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

(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
1-methoxy-6-phenylmethoxyhexan-2-amine
CID 130588590
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
CID 11338468
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
2-(6-bromohexan-2-yloxy)ethoxymethylbenzene
CID 91560056
(17-bromo-4,6,8,10,12,14-hexamethylheptadecoxy)methoxymethylbenzene
CID 172545244
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
butoxymethylbenzene;ethane
CID 145341806
[(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene
CID 134859312

Frequently Asked Questions

What is the IUPAC name of (6-bromo-5-methylhexoxy)methylbenzene?
The IUPAC name of (6-bromo-5-methylhexoxy)methylbenzene (CID 130588716) is (6-bromo-5-methylhexoxy)methylbenzene.
What is the SMILES notation for (6-bromo-5-methylhexoxy)methylbenzene?
The canonical SMILES for (6-bromo-5-methylhexoxy)methylbenzene is CC(CBr)CCCCOCc1ccccc1.
What is the InChIKey of (6-bromo-5-methylhexoxy)methylbenzene?
The InChIKey is MWNQNMWULSKJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-13(11-15)7-5-6-10-16-12-14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3.
What are the key properties of (6-bromo-5-methylhexoxy)methylbenzene?
(6-bromo-5-methylhexoxy)methylbenzene has a molecular weight of 285.22 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-5-methylhexoxy)methylbenzene is sourced from PubChem (CID 130588716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).