1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene

C17H17BrO2 — CID 65008158

IUPAC1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene
SMILESBrCC1(COc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C17H17BrO2/c18-12-17(10-11-17)13-19-14-6-8-16(9-7-14)20-15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyMHBNMXCJHGAXAZ-UHFFFAOYSA-N
MW333.23 g/mol
LogP5.03
Rot. Bonds6

About 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene

1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene (PubChem CID 65008158) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene
PubChem CID65008158
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene
SMILESBrCC1(COc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C17H17BrO2/c18-12-17(10-11-17)13-19-14-6-8-16(9-7-14)20-15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyMHBNMXCJHGAXAZ-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.23
LogP ≤ 55.03
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-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene
CID 65008315
1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene
CID 65008691
[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride
CID 170900192
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene
CID 65001597
1-[[1-(bromomethyl)cyclohexyl]methoxy]-4-ethylbenzene
CID 65002392
1-(bromomethyl)-1-[(4-ethylphenoxy)methyl]cycloheptane
CID 65010002
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
CID 65008523
1-bromo-3-[[1-(bromomethyl)cyclobutyl]methoxy]benzene
CID 65007470
1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65203699
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylsulfanylbenzene
CID 65001091
4-[[1-(bromomethyl)cycloheptyl]methoxy]benzonitrile
CID 65010301

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene (CID 65008158) is 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene is BrCC1(COc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene?
The InChIKey is MHBNMXCJHGAXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c18-12-17(10-11-17)13-19-14-6-8-16(9-7-14)20-15-4-2-1-3-5-15/h1-9H,10-13H2.
What are the key properties of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene?
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene has a molecular weight of 333.23 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene is sourced from PubChem (CID 65008158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).