1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol

C13H17BrO2 — CID 103165431

IUPAC1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol
SMILESCOc1ccc(C(O)CC2CCC2)c(Br)c1
InChIInChI=1S/C13H17BrO2/c1-16-10-5-6-11(12(14)8-10)13(15)7-9-3-2-4-9/h5-6,8-9,13,15H,2-4,7H2,1H3
InChIKeyBPYCVCOZBXVLEO-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.68
Rot. Bonds4

About 1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol

1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol (PubChem CID 103165431) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol
PubChem CID103165431
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol
SMILESCOc1ccc(C(O)CC2CCC2)c(Br)c1
InChIInChI=1S/C13H17BrO2/c1-16-10-5-6-11(12(14)8-10)13(15)7-9-3-2-4-9/h5-6,8-9,13,15H,2-4,7H2,1H3
InChIKeyBPYCVCOZBXVLEO-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene
CID 63443650
2-bromo-1-[bromo(cyclobutyl)methyl]-4-methoxybenzene
CID 63443524
1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457634
2-bromo-1-(1-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63443780
[2-cyclobutyl-1-(4-methoxy-2-methylphenyl)ethyl]hydrazine
CID 103170431
2-bromo-1-(1-chloro-2,2-dicyclopropylethyl)-4-methoxybenzene
CID 112745100
3-(2-bromo-4-methoxyphenyl)-3-hydroxypropanenitrile
CID 130534305
1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol
CID 103165469
[bromo-(2-bromo-4-methoxyphenyl)methyl]cyclooctane
CID 65021185
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
CID 61100159
(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine
CID 3340478
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol
CID 115789681

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol (CID 103165431) is 1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol is COc1ccc(C(O)CC2CCC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol?
The InChIKey is BPYCVCOZBXVLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-16-10-5-6-11(12(14)8-10)13(15)7-9-3-2-4-9/h5-6,8-9,13,15H,2-4,7H2,1H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol?
1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol has a molecular weight of 285.18 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol is sourced from PubChem (CID 103165431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).