(3-bromo-1-phenoxypropyl)benzene

C15H15BrO — CID 140974911

IUPAC(3-bromo-1-phenoxypropyl)benzene
SMILESBrCCC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15BrO/c16-12-11-15(13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyUKAFAFRIBRQVGQ-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.59
Rot. Bonds5

About (3-bromo-1-phenoxypropyl)benzene

(3-bromo-1-phenoxypropyl)benzene (PubChem CID 140974911) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is (3-bromo-1-phenoxypropyl)benzene.

Molecular Properties

Compound Name(3-bromo-1-phenoxypropyl)benzene
PubChem CID140974911
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name(3-bromo-1-phenoxypropyl)benzene
SMILESBrCCC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15BrO/c16-12-11-15(13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyUKAFAFRIBRQVGQ-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-phenoxy-3-(3-phenoxy-3-phenylpropoxy)propyl]benzene
CID 70632407
(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
2-phenoxy-2-phenylethanamine chloride
CID 21228850
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
1-chloro-4-[(1R)-3-chloro-1-phenoxypropyl]benzene
CID 39380952
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
1,4-bis(1,2-diphenylethoxy)benzene
CID 67207918
3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
CID 10177883
1-[(1S)-3-chloro-1-phenoxypropyl]-4-fluorobenzene
CID 39364379
6-bromohexan-2-yloxybenzene
CID 150425058
ethyl 4-phenoxy-4-phenylbutanoate
CID 151980337
(3S)-3-(4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 10338938

Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-phenoxypropyl)benzene?
The IUPAC name of (3-bromo-1-phenoxypropyl)benzene (CID 140974911) is (3-bromo-1-phenoxypropyl)benzene.
What is the SMILES notation for (3-bromo-1-phenoxypropyl)benzene?
The canonical SMILES for (3-bromo-1-phenoxypropyl)benzene is BrCCC(Oc1ccccc1)c1ccccc1.
What is the InChIKey of (3-bromo-1-phenoxypropyl)benzene?
The InChIKey is UKAFAFRIBRQVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c16-12-11-15(13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of (3-bromo-1-phenoxypropyl)benzene?
(3-bromo-1-phenoxypropyl)benzene has a molecular weight of 291.19 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-phenoxypropyl)benzene is sourced from PubChem (CID 140974911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).