[3-bromo-4-(2-ethylhexoxy)phenyl]methanol

C15H23BrO2 — CID 63533684

IUPAC[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
SMILESCCCCC(CC)COc1ccc(CO)cc1Br
InChIInChI=1S/C15H23BrO2/c1-3-5-6-12(4-2)11-18-15-8-7-13(10-17)9-14(15)16/h7-9,12,17H,3-6,10-11H2,1-2H3
InChIKeyLZQNCYWYHROBRS-UHFFFAOYSA-N
MW315.25 g/mol
LogP4.54
Rot. Bonds8

About [3-bromo-4-(2-ethylhexoxy)phenyl]methanol

[3-bromo-4-(2-ethylhexoxy)phenyl]methanol (PubChem CID 63533684) has the molecular formula C15H23BrO2 and a molecular weight of 315.25 g/mol. Its IUPAC name is [3-bromo-4-(2-ethylhexoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
PubChem CID63533684
Molecular FormulaC15H23BrO2
Molecular Weight315.25 g/mol
Exact Mass314.09
IUPAC Name[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
SMILESCCCCC(CC)COc1ccc(CO)cc1Br
InChIInChI=1S/C15H23BrO2/c1-3-5-6-12(4-2)11-18-15-8-7-13(10-17)9-14(15)16/h7-9,12,17H,3-6,10-11H2,1-2H3
InChIKeyLZQNCYWYHROBRS-UHFFFAOYSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
3-bromo-4-(2-ethylhexoxy)benzonitrile
CID 82797324
3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide
CID 82798762
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene
CID 55224763
[4-(2-ethylheptoxy)phenyl]methanol
CID 142083933
1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine
CID 82927336
5-bromo-2-(2-ethylhexoxy)benzenecarbothioamide
CID 83144919
1-[5-bromo-2-(2-ethylhexoxy)phenyl]ethanone
CID 63530428
4-(bromomethyl)-1-(2-ethylhexoxy)-2-nitrobenzene
CID 63535169
2-[2,5-bis(bromomethyl)phenyl]-1,4-bis(2-ethylhexoxy)benzene
CID 101028843
[4-(2-ethylhexoxy)-3-pyridinyl]methanol
CID 81238636

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-ethylhexoxy)phenyl]methanol?
The IUPAC name of [3-bromo-4-(2-ethylhexoxy)phenyl]methanol (CID 63533684) is [3-bromo-4-(2-ethylhexoxy)phenyl]methanol.
What is the SMILES notation for [3-bromo-4-(2-ethylhexoxy)phenyl]methanol?
The canonical SMILES for [3-bromo-4-(2-ethylhexoxy)phenyl]methanol is CCCCC(CC)COc1ccc(CO)cc1Br.
What is the InChIKey of [3-bromo-4-(2-ethylhexoxy)phenyl]methanol?
The InChIKey is LZQNCYWYHROBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO2/c1-3-5-6-12(4-2)11-18-15-8-7-13(10-17)9-14(15)16/h7-9,12,17H,3-6,10-11H2,1-2H3.
What are the key properties of [3-bromo-4-(2-ethylhexoxy)phenyl]methanol?
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol has a molecular weight of 315.25 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2-ethylhexoxy)phenyl]methanol is sourced from PubChem (CID 63533684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).