2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol

C13H19BrO2 — CID 66057917

IUPAC2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Cc1cc(OC)ccc1Br
InChIInChI=1S/C13H19BrO2/c1-4-13(2,9-15)8-10-7-11(16-3)5-6-12(10)14/h5-7,15H,4,8-9H2,1-3H3
InChIKeyCCBASVAAKJXGPR-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.41
Rot. Bonds5

About 2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol

2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol (PubChem CID 66057917) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
PubChem CID66057917
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Cc1cc(OC)ccc1Br
InChIInChI=1S/C13H19BrO2/c1-4-13(2,9-15)8-10-7-11(16-3)5-6-12(10)14/h5-7,15H,4,8-9H2,1-3H3
InChIKeyCCBASVAAKJXGPR-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol
CID 66060635
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
CID 65327602
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutanoic acid
CID 65322994
1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol
CID 114228340
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine
CID 65323672
2-[(2-bromo-5-methoxyphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450805
2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882380
3-(2-bromo-5-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 65379304
2-[(2-bromo-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852401
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 94687748
3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine
CID 65330931

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol (CID 66057917) is 2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol is CCC(C)(CO)Cc1cc(OC)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol?
The InChIKey is CCBASVAAKJXGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-4-13(2,9-15)8-10-7-11(16-3)5-6-12(10)14/h5-7,15H,4,8-9H2,1-3H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol?
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 66057917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).