1-(bromomethyl)-3-(3-methoxypropyl)benzene

C11H15BrO — CID 59382337

IUPAC1-(bromomethyl)-3-(3-methoxypropyl)benzene
SMILESCOCCCc1cccc(CBr)c1
InChIInChI=1S/C11H15BrO/c1-13-7-3-6-10-4-2-5-11(8-10)9-12/h2,4-5,8H,3,6-7,9H2,1H3
InChIKeyULZBZXPPLJOVQO-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.16
Rot. Bonds5

About 1-(bromomethyl)-3-(3-methoxypropyl)benzene

1-(bromomethyl)-3-(3-methoxypropyl)benzene (PubChem CID 59382337) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-(bromomethyl)-3-(3-methoxypropyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-(3-methoxypropyl)benzene
PubChem CID59382337
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name1-(bromomethyl)-3-(3-methoxypropyl)benzene
SMILESCOCCCc1cccc(CBr)c1
InChIInChI=1S/C11H15BrO/c1-13-7-3-6-10-4-2-5-11(8-10)9-12/h2,4-5,8H,3,6-7,9H2,1H3
InChIKeyULZBZXPPLJOVQO-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.16
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

3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine
CID 143800069
3-[3-(bromomethyl)phenyl]propan-1-ol
CID 139754880
1,3-bis(3-bromopropyl)benzene;ethane
CID 155596477
4-[3-(2-methoxyethyl)phenyl]butan-1-amine
CID 117115617
1-(7-methoxyheptyl)-3-methylbenzene
CID 70248389
3-(bromomethyl)-1-(3-methoxypropyl)naphthalene
CID 67542320
1,3-bis(3-butylperoxypropyl)benzene
CID 142762210
1-(bromomethyl)-2-(3-methoxypropyl)benzene
CID 59382353
3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol
CID 42610605
7-methoxyheptylbenzene
CID 54276867
1,3-dibromo-2-(3-methoxypropyl)benzene
CID 163724839
1-(3-bromopropyl)-3-propylbenzene
CID 116545899

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-(3-methoxypropyl)benzene?
The IUPAC name of 1-(bromomethyl)-3-(3-methoxypropyl)benzene (CID 59382337) is 1-(bromomethyl)-3-(3-methoxypropyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-3-(3-methoxypropyl)benzene?
The canonical SMILES for 1-(bromomethyl)-3-(3-methoxypropyl)benzene is COCCCc1cccc(CBr)c1.
What is the InChIKey of 1-(bromomethyl)-3-(3-methoxypropyl)benzene?
The InChIKey is ULZBZXPPLJOVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-13-7-3-6-10-4-2-5-11(8-10)9-12/h2,4-5,8H,3,6-7,9H2,1H3.
What are the key properties of 1-(bromomethyl)-3-(3-methoxypropyl)benzene?
1-(bromomethyl)-3-(3-methoxypropyl)benzene has a molecular weight of 243.14 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-(3-methoxypropyl)benzene is sourced from PubChem (CID 59382337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).