6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol

C15H19BrO2 — CID 104661081

IUPAC6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)C2C3CCCC32)cc1Br
InChIInChI=1S/C15H19BrO2/c1-2-18-13-7-6-9(8-12(13)16)15(17)14-10-4-3-5-11(10)14/h6-8,10-11,14-15,17H,2-5H2,1H3
InChIKeyVWWIENFTJHFLNL-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.93
Rot. Bonds4

About 6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol

6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol (PubChem CID 104661081) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol
PubChem CID104661081
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)C2C3CCCC32)cc1Br
InChIInChI=1S/C15H19BrO2/c1-2-18-13-7-6-9(8-12(13)16)15(17)14-10-4-3-5-11(10)14/h6-8,10-11,14-15,17H,2-5H2,1H3
InChIKeyVWWIENFTJHFLNL-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 113438363
(3-bromo-4-ethoxyphenyl)-(3-methyloxolan-2-yl)methanol
CID 104661160
6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine
CID 104658143
[bromo-(3-bromo-4-ethoxyphenyl)methyl]cyclooctane
CID 104661662
2-bromo-4-[chloro-(2-methylcyclopentyl)methyl]-1-ethoxybenzene
CID 107182624
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
CID 67459476
1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
CID 104661010
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
1-(3-bromo-4-ethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 104657479
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
CID 104661534

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol (CID 104661081) is 6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol is CCOc1ccc(C(O)C2C3CCCC32)cc1Br.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol?
The InChIKey is VWWIENFTJHFLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-2-18-13-7-6-9(8-12(13)16)15(17)14-10-4-3-5-11(10)14/h6-8,10-11,14-15,17H,2-5H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol?
6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol has a molecular weight of 311.22 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol is sourced from PubChem (CID 104661081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).