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

C14H21BrO2 — CID 66060635

IUPAC2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Cc1cc(OC)ccc1Br
InChIInChI=1S/C14H21BrO2/c1-4-14(5-2,10-16)9-11-8-12(17-3)6-7-13(11)15/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyVMXGFFPGYHYVQP-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.80
Rot. Bonds6

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

2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol (PubChem CID 66060635) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol
PubChem CID66060635
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Cc1cc(OC)ccc1Br
InChIInChI=1S/C14H21BrO2/c1-4-14(5-2,10-16)9-11-8-12(17-3)6-7-13(11)15/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyVMXGFFPGYHYVQP-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-methoxyphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450805
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
CID 66057917
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
CID 65327602
1-bromo-2-[2-(bromomethyl)-2-ethylhexyl]-4-methoxybenzene
CID 66048487
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutanoic acid
CID 65322994
2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine
CID 65327025
3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine
CID 65330931
2-[(2-bromo-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852401
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol
CID 114228340
2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882380
3-(2-bromo-5-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 65379304

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol (CID 66060635) is 2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)Cc1cc(OC)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol?
The InChIKey is VMXGFFPGYHYVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-4-14(5-2,10-16)9-11-8-12(17-3)6-7-13(11)15/h6-8,16H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol?
2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol has a molecular weight of 301.22 g/mol, XLogP of 3.80, 6 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-ethylbutan-1-ol is sourced from PubChem (CID 66060635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).