4-(bromomethyl)hept-6-enoxymethylbenzene

C15H21BrO — CID 131093267

IUPAC4-(bromomethyl)hept-6-enoxymethylbenzene
SMILESC=CCC(CBr)CCCOCc1ccccc1
InChIInChI=1S/C15H21BrO/c1-2-7-14(12-16)10-6-11-17-13-15-8-4-3-5-9-15/h2-5,8-9,14H,1,6-7,10-13H2
InChIKeyMPLUMEYEAVNXBK-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.57
Rot. Bonds9

About 4-(bromomethyl)hept-6-enoxymethylbenzene

4-(bromomethyl)hept-6-enoxymethylbenzene (PubChem CID 131093267) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-(bromomethyl)hept-6-enoxymethylbenzene.

Molecular Properties

Compound Name4-(bromomethyl)hept-6-enoxymethylbenzene
PubChem CID131093267
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name4-(bromomethyl)hept-6-enoxymethylbenzene
SMILESC=CCC(CBr)CCCOCc1ccccc1
InChIInChI=1S/C15H21BrO/c1-2-7-14(12-16)10-6-11-17-13-15-8-4-3-5-9-15/h2-5,8-9,14H,1,6-7,10-13H2
InChIKeyMPLUMEYEAVNXBK-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.57
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-6-phenylmethoxyhex-1-en-3-ol
CID 23649849
(4S)-1-phenylmethoxynon-8-en-4-ol
CID 71377063
diethyl 2-[(2R)-6-phenylmethoxy-2-prop-2-enylhexyl]propanedioate
CID 10475514
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
3-(bromomethyl)hexoxymethylbenzene
CID 130537467
[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene
CID 42611473
benzyl N-[(4R)-7-phenylmethoxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
CID 11025634
2-(7-phenylmethoxyheptyl)propane-1,3-diol
CID 10612787
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
CID 11338468
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
[(2R)-2-(octadecoxymethyl)pent-4-enoxy]methylbenzene;(2R)-2-(phenylmethoxymethyl)pent-4-en-1-ol
CID 163839526

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)hept-6-enoxymethylbenzene?
The IUPAC name of 4-(bromomethyl)hept-6-enoxymethylbenzene (CID 131093267) is 4-(bromomethyl)hept-6-enoxymethylbenzene.
What is the SMILES notation for 4-(bromomethyl)hept-6-enoxymethylbenzene?
The canonical SMILES for 4-(bromomethyl)hept-6-enoxymethylbenzene is C=CCC(CBr)CCCOCc1ccccc1.
What is the InChIKey of 4-(bromomethyl)hept-6-enoxymethylbenzene?
The InChIKey is MPLUMEYEAVNXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-2-7-14(12-16)10-6-11-17-13-15-8-4-3-5-9-15/h2-5,8-9,14H,1,6-7,10-13H2.
What are the key properties of 4-(bromomethyl)hept-6-enoxymethylbenzene?
4-(bromomethyl)hept-6-enoxymethylbenzene has a molecular weight of 297.24 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)hept-6-enoxymethylbenzene is sourced from PubChem (CID 131093267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).