1-bromo-4-(2-phenoxyethyl)benzene

C14H13BrO — CID 57340734

IUPAC1-bromo-4-(2-phenoxyethyl)benzene
SMILESBrc1ccc(CCOc2ccccc2)cc1
InChIInChI=1S/C14H13BrO/c15-13-8-6-12(7-9-13)10-11-16-14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKeyNTFRJPBLOCKZDQ-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.07
Rot. Bonds4

About 1-bromo-4-(2-phenoxyethyl)benzene

1-bromo-4-(2-phenoxyethyl)benzene (PubChem CID 57340734) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-bromo-4-(2-phenoxyethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-phenoxyethyl)benzene
PubChem CID57340734
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name1-bromo-4-(2-phenoxyethyl)benzene
SMILESBrc1ccc(CCOc2ccccc2)cc1
InChIInChI=1S/C14H13BrO/c15-13-8-6-12(7-9-13)10-11-16-14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKeyNTFRJPBLOCKZDQ-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromodiphenyl Ether
CID 7565
1-(Bromomethyl)-3-phenoxybenzene
CID 94544
Benzyl Phenyl Ether
CID 70352
Benzyl p-tolyl ether
CID 70036
1-(Benzyloxy)-3-bromobenzene
CID 2756638
3-Bromodiphenyl ether
CID 96165
1-Bromo-4-phenylmethoxybenzene
CID 138835
1-Iodo-4-(phenoxymethyl)benzene
CID 57494778
1-Bromo-4-[(4-iodophenyl)methoxy]benzene
CID 65479031
1-Bromo-3-[(4-fluorophenyl)methoxy]benzene
CID 2758970
3-Bromo-4-methoxybiphenyl
CID 262267
ST51042142
CID 2760895

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-phenoxyethyl)benzene?
The IUPAC name of 1-bromo-4-(2-phenoxyethyl)benzene (CID 57340734) is 1-bromo-4-(2-phenoxyethyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-phenoxyethyl)benzene?
The canonical SMILES for 1-bromo-4-(2-phenoxyethyl)benzene is Brc1ccc(CCOc2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-(2-phenoxyethyl)benzene?
The InChIKey is NTFRJPBLOCKZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c15-13-8-6-12(7-9-13)10-11-16-14-4-2-1-3-5-14/h1-9H,10-11H2.
What are the key properties of 1-bromo-4-(2-phenoxyethyl)benzene?
1-bromo-4-(2-phenoxyethyl)benzene has a molecular weight of 277.16 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-phenoxyethyl)benzene is sourced from PubChem (CID 57340734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).