3-(2-bromo-5-methoxyphenyl)pentan-3-ol

C12H17BrO2 — CID 72942483

IUPAC3-(2-bromo-5-methoxyphenyl)pentan-3-ol
SMILESCCC(O)(CC)c1cc(OC)ccc1Br
InChIInChI=1S/C12H17BrO2/c1-4-12(14,5-2)10-8-9(15-3)6-7-11(10)13/h6-8,14H,4-5H2,1-3H3
InChIKeyVHMWAJXRCSFKBX-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.47
Rot. Bonds4

About 3-(2-bromo-5-methoxyphenyl)pentan-3-ol

3-(2-bromo-5-methoxyphenyl)pentan-3-ol (PubChem CID 72942483) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 3-(2-bromo-5-methoxyphenyl)pentan-3-ol.

Molecular Properties

Compound Name3-(2-bromo-5-methoxyphenyl)pentan-3-ol
PubChem CID72942483
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name3-(2-bromo-5-methoxyphenyl)pentan-3-ol
SMILESCCC(O)(CC)c1cc(OC)ccc1Br
InChIInChI=1S/C12H17BrO2/c1-4-12(14,5-2)10-8-9(15-3)6-7-11(10)13/h6-8,14H,4-5H2,1-3H3
InChIKeyVHMWAJXRCSFKBX-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-5-methoxyphenyl)pentan-3-ol
CID 67269604
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
CID 65327602
2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine
CID 18697503
3-(2,5-dimethoxyphenyl)-3-hydroxypentanoic acid
CID 112501672
2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol
CID 66060635
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
CID 66057917
4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 116752716
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutanoic acid
CID 65322994
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine
CID 65323672

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-methoxyphenyl)pentan-3-ol?
The IUPAC name of 3-(2-bromo-5-methoxyphenyl)pentan-3-ol (CID 72942483) is 3-(2-bromo-5-methoxyphenyl)pentan-3-ol.
What is the SMILES notation for 3-(2-bromo-5-methoxyphenyl)pentan-3-ol?
The canonical SMILES for 3-(2-bromo-5-methoxyphenyl)pentan-3-ol is CCC(O)(CC)c1cc(OC)ccc1Br.
What is the InChIKey of 3-(2-bromo-5-methoxyphenyl)pentan-3-ol?
The InChIKey is VHMWAJXRCSFKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-4-12(14,5-2)10-8-9(15-3)6-7-11(10)13/h6-8,14H,4-5H2,1-3H3.
What are the key properties of 3-(2-bromo-5-methoxyphenyl)pentan-3-ol?
3-(2-bromo-5-methoxyphenyl)pentan-3-ol has a molecular weight of 273.17 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-methoxyphenyl)pentan-3-ol is sourced from PubChem (CID 72942483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).