1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene

C16H15BrO — CID 130539986

IUPAC1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
SMILESBr[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H15BrO/c17-16-10-15(16)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16+/m0/s1
InChIKeyUMLXKRDQGQFRFY-JKSUJKDBSA-N
MW303.20 g/mol
LogP4.52
Rot. Bonds4

About 1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene

1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene (PubChem CID 130539986) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
PubChem CID130539986
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
SMILESBr[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H15BrO/c17-16-10-15(16)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16+/m0/s1
InChIKeyUMLXKRDQGQFRFY-JKSUJKDBSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.52
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

cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
1-(3-bromocyclobutyl)oxy-4-phenylmethoxybenzene
CID 66346512
1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene
CID 134350485
N-[[2-(4-phenylmethoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62703658
1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine
CID 78097111
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
[2-(4-phenylmethoxyphenyl)cyclopropyl] butanoate
CID 174231833

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene (CID 130539986) is 1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene is Br[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene?
The InChIKey is UMLXKRDQGQFRFY-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H15BrO/c17-16-10-15(16)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene?
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene has a molecular weight of 303.20 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 130539986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).