bromomethane;1-cyclopentyl-4-methoxybenzene

C13H19BrO — CID 160663013

IUPACbromomethane;1-cyclopentyl-4-methoxybenzene
SMILESCBr.COc1ccc(C2CCCC2)cc1
InChIInChI=1S/C12H16O.CH3Br/c1-13-12-8-6-11(7-9-12)10-4-2-3-5-10;1-2/h6-10H,2-5H2,1H3;1H3
InChIKeyRLXPNRVNXILFPV-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.36
Rot. Bonds2

About bromomethane;1-cyclopentyl-4-methoxybenzene

bromomethane;1-cyclopentyl-4-methoxybenzene (PubChem CID 160663013) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is bromomethane;1-cyclopentyl-4-methoxybenzene.

Molecular Properties

Compound Namebromomethane;1-cyclopentyl-4-methoxybenzene
PubChem CID160663013
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Namebromomethane;1-cyclopentyl-4-methoxybenzene
SMILESCBr.COc1ccc(C2CCCC2)cc1
InChIInChI=1S/C12H16O.CH3Br/c1-13-12-8-6-11(7-9-12)10-4-2-3-5-10;1-2/h6-10H,2-5H2,1H3;1H3
InChIKeyRLXPNRVNXILFPV-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.36
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

1-cyclohexyl-4-(4-methoxyphenyl)benzene;ethene
CID 144983864
2-cyclopentyl-6-methoxynaphthalene
CID 67100251
(4S)-4-(4-methoxyphenyl)azepane
CID 95439149
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
3-(4-methoxyphenyl)piperidine
CID 12937920
N-[3-(4-methoxyphenyl)cyclobutyl]cyclooctanamine
CID 43633186
1-cyclohexyl-4-(methoxymethoxy)benzene
CID 143461597
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
(4-cyclohexylphenoxy)-dimethylsulfanium
CID 139727859

Frequently Asked Questions

What is the IUPAC name of bromomethane;1-cyclopentyl-4-methoxybenzene?
The IUPAC name of bromomethane;1-cyclopentyl-4-methoxybenzene (CID 160663013) is bromomethane;1-cyclopentyl-4-methoxybenzene.
What is the SMILES notation for bromomethane;1-cyclopentyl-4-methoxybenzene?
The canonical SMILES for bromomethane;1-cyclopentyl-4-methoxybenzene is CBr.COc1ccc(C2CCCC2)cc1.
What is the InChIKey of bromomethane;1-cyclopentyl-4-methoxybenzene?
The InChIKey is RLXPNRVNXILFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.CH3Br/c1-13-12-8-6-11(7-9-12)10-4-2-3-5-10;1-2/h6-10H,2-5H2,1H3;1H3.
What are the key properties of bromomethane;1-cyclopentyl-4-methoxybenzene?
bromomethane;1-cyclopentyl-4-methoxybenzene has a molecular weight of 271.20 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;1-cyclopentyl-4-methoxybenzene is sourced from PubChem (CID 160663013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).