1-bromo-4-cyclopropyloxybenzene

C9H9BrO — CID 50998694

IUPAC1-bromo-4-cyclopropyloxybenzene
SMILESBrc1ccc(OC2CC2)cc1
InChIInChI=1S/C9H9BrO/c10-7-1-3-8(4-2-7)11-9-5-6-9/h1-4,9H,5-6H2
InChIKeyFOCLRODNGKLAOT-UHFFFAOYSA-N
MW213.07 g/mol
LogP2.99
Rot. Bonds2

About 1-bromo-4-cyclopropyloxybenzene

1-bromo-4-cyclopropyloxybenzene (PubChem CID 50998694) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 1-bromo-4-cyclopropyloxybenzene.

Molecular Properties

Compound Name1-bromo-4-cyclopropyloxybenzene
PubChem CID50998694
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name1-bromo-4-cyclopropyloxybenzene
SMILESBrc1ccc(OC2CC2)cc1
InChIInChI=1S/C9H9BrO/c10-7-1-3-8(4-2-7)11-9-5-6-9/h1-4,9H,5-6H2
InChIKeyFOCLRODNGKLAOT-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-cyclopentyloxybenzene
CID 22599958
4-(4-bromophenoxy)cyclohexan-1-amine
CID 16756742
4-(4-bromophenoxy)thiane
CID 134090229
1-bromo-4-(3-propylcyclopentyl)oxybenzene
CID 141355711
1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene
CID 118560278
3-(4-bromophenoxy)-1-methylazetidine
CID 84703186
ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 84608470
1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene
CID 175026000
cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine
CID 67193636
2-bromo-6-cyclopentyloxynaphthalene
CID 63531133
4-(4-bromophenoxy)-1-phenylsulfanylpiperidine
CID 12645570
4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine
CID 141093726

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-cyclopropyloxybenzene?
The IUPAC name of 1-bromo-4-cyclopropyloxybenzene (CID 50998694) is 1-bromo-4-cyclopropyloxybenzene.
What is the SMILES notation for 1-bromo-4-cyclopropyloxybenzene?
The canonical SMILES for 1-bromo-4-cyclopropyloxybenzene is Brc1ccc(OC2CC2)cc1.
What is the InChIKey of 1-bromo-4-cyclopropyloxybenzene?
The InChIKey is FOCLRODNGKLAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c10-7-1-3-8(4-2-7)11-9-5-6-9/h1-4,9H,5-6H2.
What are the key properties of 1-bromo-4-cyclopropyloxybenzene?
1-bromo-4-cyclopropyloxybenzene has a molecular weight of 213.07 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-cyclopropyloxybenzene is sourced from PubChem (CID 50998694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).