1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol

C16H23BrO3 — CID 102948479

IUPAC1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H23BrO3/c1-10(18)12-7-6-11(17)8-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,10,14,18H,9H2,1-5H3
InChIKeyKKUPBNIRDATDTN-UHFFFAOYSA-N
MW343.26 g/mol
LogP4.23
Rot. Bonds3

About 1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol

1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol (PubChem CID 102948479) has the molecular formula C16H23BrO3 and a molecular weight of 343.26 g/mol. Its IUPAC name is 1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
PubChem CID102948479
Molecular FormulaC16H23BrO3
Molecular Weight343.26 g/mol
Exact Mass342.08
IUPAC Name1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H23BrO3/c1-10(18)12-7-6-11(17)8-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,10,14,18H,9H2,1-5H3
InChIKeyKKUPBNIRDATDTN-UHFFFAOYSA-N
XLogP4.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 104940303
(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 104940321
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 114621610
(1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 104940261
1-[4-bromo-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135111
3-[5-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]oxolan-2-one
CID 102948579
N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 114621113
(1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol
CID 102948860
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
(1R)-1-[4-bromo-2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol
CID 102948735
2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
CID 82623849
1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine
CID 114621180

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol (CID 102948479) is 1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol is CC(O)c1ccc(Br)cc1OC1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol?
The InChIKey is KKUPBNIRDATDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO3/c1-10(18)12-7-6-11(17)8-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,10,14,18H,9H2,1-5H3.
What are the key properties of 1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol?
1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol has a molecular weight of 343.26 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol is sourced from PubChem (CID 102948479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).