1-bromo-2-(3-phenoxypropoxy)benzene

C15H15BrO2 — CID 60665314

IUPAC1-bromo-2-(3-phenoxypropoxy)benzene
SMILESBrc1ccccc1OCCCOc1ccccc1
InChIInChI=1S/C15H15BrO2/c16-14-9-4-5-10-15(14)18-12-6-11-17-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2
InChIKeyONMDRZQDHNQZRV-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.30
Rot. Bonds6

About 1-bromo-2-(3-phenoxypropoxy)benzene

1-bromo-2-(3-phenoxypropoxy)benzene (PubChem CID 60665314) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-bromo-2-(3-phenoxypropoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-(3-phenoxypropoxy)benzene
PubChem CID60665314
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name1-bromo-2-(3-phenoxypropoxy)benzene
SMILESBrc1ccccc1OCCCOc1ccccc1
InChIInChI=1S/C15H15BrO2/c16-14-9-4-5-10-15(14)18-12-6-11-17-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2
InChIKeyONMDRZQDHNQZRV-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-(4-phenoxybutoxy)benzene
CID 54285155
[4-[3-(2-bromophenoxy)propoxy]phenyl]methanamine
CID 43530985
1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene
CID 2288878
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
2-bromo-4-methyl-1-(3-phenoxypropoxy)benzene
CID 55027204
N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide
CID 113099576
3-bromo-4-(3-phenoxypropoxy)benzoic acid
CID 60665421
2-(3-phenoxypropoxy)benzaldehyde
CID 60665355
3-(2-bromophenoxy)propylhydrazine
CID 94688539
7-(2-bromophenoxy)heptanoic acid
CID 39423766
2-bromo-6-(2-phenoxyethoxy)benzenecarbothioamide
CID 114882826
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-phenoxypropoxy)benzene?
The IUPAC name of 1-bromo-2-(3-phenoxypropoxy)benzene (CID 60665314) is 1-bromo-2-(3-phenoxypropoxy)benzene.
What is the SMILES notation for 1-bromo-2-(3-phenoxypropoxy)benzene?
The canonical SMILES for 1-bromo-2-(3-phenoxypropoxy)benzene is Brc1ccccc1OCCCOc1ccccc1.
What is the InChIKey of 1-bromo-2-(3-phenoxypropoxy)benzene?
The InChIKey is ONMDRZQDHNQZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c16-14-9-4-5-10-15(14)18-12-6-11-17-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2.
What are the key properties of 1-bromo-2-(3-phenoxypropoxy)benzene?
1-bromo-2-(3-phenoxypropoxy)benzene has a molecular weight of 307.19 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-phenoxypropoxy)benzene is sourced from PubChem (CID 60665314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).