1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol

C15H23BrO3 — CID 116752716

IUPAC1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol
SMILESCCC(CC)(OC)C(O)Cc1cc(OC)ccc1Br
InChIInChI=1S/C15H23BrO3/c1-5-15(6-2,19-4)14(17)10-11-9-12(18-3)7-8-13(11)16/h7-9,14,17H,5-6,10H2,1-4H3
InChIKeyBNHWJGVWLKRZOG-UHFFFAOYSA-N
MW331.25 g/mol
LogP3.57
Rot. Bonds7

About 1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol

1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol (PubChem CID 116752716) has the molecular formula C15H23BrO3 and a molecular weight of 331.25 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol
PubChem CID116752716
Molecular FormulaC15H23BrO3
Molecular Weight331.25 g/mol
Exact Mass330.08
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol
SMILESCCC(CC)(OC)C(O)Cc1cc(OC)ccc1Br
InChIInChI=1S/C15H23BrO3/c1-5-15(6-2,19-4)14(17)10-11-9-12(18-3)7-8-13(11)16/h7-9,14,17H,5-6,10H2,1-4H3
InChIKeyBNHWJGVWLKRZOG-UHFFFAOYSA-N
XLogP3.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol
CID 65325300
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
[1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
CID 105275091
1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol
CID 65327514
1-(2-bromo-5-methoxyphenyl)-3-butan-2-ylsulfanylpropan-2-ol
CID 65325108
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
CID 65327602
1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
CID 113391274
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115801475
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-2-one
CID 65323268
1-(2-bromo-5-methoxyphenyl)-4-methoxy-3-methylbutan-2-ol
CID 116502554
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65325525

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol (CID 116752716) is 1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol is CCC(CC)(OC)C(O)Cc1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol?
The InChIKey is BNHWJGVWLKRZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO3/c1-5-15(6-2,19-4)14(17)10-11-9-12(18-3)7-8-13(11)16/h7-9,14,17H,5-6,10H2,1-4H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol?
1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol has a molecular weight of 331.25 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol is sourced from PubChem (CID 116752716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).