1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene

C17H17BrO2 — CID 66346512

IUPAC1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene
SMILESBrC1CC(Oc2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C17H17BrO2/c18-14-10-17(11-14)20-16-8-6-15(7-9-16)19-12-13-4-2-1-3-5-13/h1-9,14,17H,10-12H2
InChIKeyBUVXJPNBOUBZTP-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.57
Rot. Bonds5

About 1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene

1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene (PubChem CID 66346512) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene
PubChem CID66346512
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene
SMILESBrC1CC(Oc2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C17H17BrO2/c18-14-10-17(11-14)20-16-8-6-15(7-9-16)19-12-13-4-2-1-3-5-13/h1-9,14,17H,10-12H2
InChIKeyBUVXJPNBOUBZTP-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride
CID 18357130
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
4-phenylmethoxyaniline
CID 159966727
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
1-(8-bromooctoxy)-4-phenylmethoxybenzene
CID 86051798
1-(3-bromocyclobutyl)oxy-3-ethylbenzene
CID 66345315
cesium (4R)-4-methyl-2-(4-phenylmethoxyphenoxy)-2,3,4,5-tetrahydrofuran-5-ide
CID 155795433
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene?
The IUPAC name of 1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene (CID 66346512) is 1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene?
The canonical SMILES for 1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene is BrC1CC(Oc2ccc(OCc3ccccc3)cc2)C1.
What is the InChIKey of 1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene?
The InChIKey is BUVXJPNBOUBZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c18-14-10-17(11-14)20-16-8-6-15(7-9-16)19-12-13-4-2-1-3-5-13/h1-9,14,17H,10-12H2.
What are the key properties of 1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene?
1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene has a molecular weight of 333.23 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene is sourced from PubChem (CID 66346512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).