1-(4-bromocyclohexyl)oxy-2-methoxybenzene

C13H17BrO2 — CID 174500132

IUPAC1-(4-bromocyclohexyl)oxy-2-methoxybenzene
SMILESCOc1ccccc1OC1CCC(Br)CC1
InChIInChI=1S/C13H17BrO2/c1-15-12-4-2-3-5-13(12)16-11-8-6-10(14)7-9-11/h2-5,10-11H,6-9H2,1H3
InChIKeyORBODPJHOVDXFB-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.78
Rot. Bonds3

About 1-(4-bromocyclohexyl)oxy-2-methoxybenzene

1-(4-bromocyclohexyl)oxy-2-methoxybenzene (PubChem CID 174500132) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-(4-bromocyclohexyl)oxy-2-methoxybenzene.

Molecular Properties

Compound Name1-(4-bromocyclohexyl)oxy-2-methoxybenzene
PubChem CID174500132
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name1-(4-bromocyclohexyl)oxy-2-methoxybenzene
SMILESCOc1ccccc1OC1CCC(Br)CC1
InChIInChI=1S/C13H17BrO2/c1-15-12-4-2-3-5-13(12)16-11-8-6-10(14)7-9-11/h2-5,10-11H,6-9H2,1H3
InChIKeyORBODPJHOVDXFB-UHFFFAOYSA-N
XLogP3.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.78
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

(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
3-(2-methoxyphenoxy)-N-methylcyclopentan-1-amine
CID 79643718
3-[3-(2-methoxyphenoxy)azetidin-1-yl]cyclohexan-1-ol
CID 163258410
1,2-dicyclohexyloxybenzene
CID 67331328
O-[3-[3-(2-methoxyphenoxy)azetidin-1-yl]cyclohexyl]hydroxylamine
CID 170319296
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine
CID 70708834
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
4-cyclopropyloxy-3-methoxyphenol
CID 84657279
3-methoxy-2-[4-(2-methoxyphenoxy)piperidin-1-yl]-6-methylpyridine
CID 146038169
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromocyclohexyl)oxy-2-methoxybenzene?
The IUPAC name of 1-(4-bromocyclohexyl)oxy-2-methoxybenzene (CID 174500132) is 1-(4-bromocyclohexyl)oxy-2-methoxybenzene.
What is the SMILES notation for 1-(4-bromocyclohexyl)oxy-2-methoxybenzene?
The canonical SMILES for 1-(4-bromocyclohexyl)oxy-2-methoxybenzene is COc1ccccc1OC1CCC(Br)CC1.
What is the InChIKey of 1-(4-bromocyclohexyl)oxy-2-methoxybenzene?
The InChIKey is ORBODPJHOVDXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-15-12-4-2-3-5-13(12)16-11-8-6-10(14)7-9-11/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(4-bromocyclohexyl)oxy-2-methoxybenzene?
1-(4-bromocyclohexyl)oxy-2-methoxybenzene has a molecular weight of 285.18 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromocyclohexyl)oxy-2-methoxybenzene is sourced from PubChem (CID 174500132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).