1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol

C12H17BrO2 — CID 61101002

IUPAC1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1cc(Br)ccc1OC
InChIInChI=1S/C12H17BrO2/c1-4-8(2)12(14)10-7-9(13)5-6-11(10)15-3/h5-8,12,14H,4H2,1-3H3
InChIKeyYNQOQRSADVFIBS-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.54
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol

1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol (PubChem CID 61101002) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
PubChem CID61101002
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1cc(Br)ccc1OC
InChIInChI=1S/C12H17BrO2/c1-4-8(2)12(14)10-7-9(13)5-6-11(10)15-3/h5-8,12,14H,4H2,1-3H3
InChIKeyYNQOQRSADVFIBS-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
3-(5-bromo-2-methoxyphenyl)-3-hydroxy-2-methylpropanenitrile
CID 79129107
1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
CID 164892127
(1S)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221153
(1R)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201616
ethyl 2-[(5-bromo-2-methoxyphenyl)-hydroxymethyl]butanoate
CID 55071982
2-(aminomethyl)-1-(5-bromo-2-methoxyphenyl)pentan-1-ol
CID 79415351
2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol
CID 83933754
1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine
CID 43149088
1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 63832427
2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol
CID 61050211
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol (CID 61101002) is 1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol is CCC(C)C(O)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol?
The InChIKey is YNQOQRSADVFIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-4-8(2)12(14)10-7-9(13)5-6-11(10)15-3/h5-8,12,14H,4H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol?
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol has a molecular weight of 273.17 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol is sourced from PubChem (CID 61101002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).