2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane

C14H17BrO2 — CID 174453311

IUPAC2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane
SMILESCOc1cc(OC)c(C2CCC3CC32)cc1Br
InChIInChI=1S/C14H17BrO2/c1-16-13-7-14(17-2)12(15)6-11(13)9-4-3-8-5-10(8)9/h6-10H,3-5H2,1-2H3
InChIKeyLDOPTVODTZHDOY-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.98
Rot. Bonds3

About 2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane

2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane (PubChem CID 174453311) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane
PubChem CID174453311
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane
SMILESCOc1cc(OC)c(C2CCC3CC32)cc1Br
InChIInChI=1S/C14H17BrO2/c1-16-13-7-14(17-2)12(15)6-11(13)9-4-3-8-5-10(8)9/h6-10H,3-5H2,1-2H3
InChIKeyLDOPTVODTZHDOY-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-5-cyclopropyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10402279
2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane;methyl 3-[[2-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]-5,7-dimethylindol-1-yl]methyl]benzoate
CID 174453310
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
2-(2,4-dibromo-5-methoxyphenyl)azetidine
CID 130043119
4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine
CID 117499628
(14R,15S)-8-methoxytetracyclo[12.3.1.02,11.05,10]octadeca-5,7,9-triene-7,15-diol
CID 163624357
5-bromo-2,4-dimethoxybenzenethiol
CID 50989231
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]cycloheptanamine
CID 791926
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
1-bromo-5-[2-(5-bromo-2,4-dimethoxyphenyl)ethynyl]-2,4-dimethoxybenzene
CID 172870430

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane?
The IUPAC name of 2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane (CID 174453311) is 2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane is COc1cc(OC)c(C2CCC3CC32)cc1Br.
What is the InChIKey of 2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane?
The InChIKey is LDOPTVODTZHDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c1-16-13-7-14(17-2)12(15)6-11(13)9-4-3-8-5-10(8)9/h6-10H,3-5H2,1-2H3.
What are the key properties of 2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane?
2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane has a molecular weight of 297.19 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dimethoxyphenyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 174453311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).