(1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol

C16H23ClO3 — CID 104940303

IUPAC(1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
SMILESC[C@@H](O)c1cc(Cl)ccc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H23ClO3/c1-10(18)12-8-11(17)6-7-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,10,14,18H,9H2,1-5H3/t10-,14?/m1/s1
InChIKeyUSPLXSWFRXAEHY-IAPIXIRKSA-N
MW298.81 g/mol
LogP4.12
Rot. Bonds3

About (1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol

(1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol (PubChem CID 104940303) has the molecular formula C16H23ClO3 and a molecular weight of 298.81 g/mol. Its IUPAC name is (1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
PubChem CID104940303
Molecular FormulaC16H23ClO3
Molecular Weight298.81 g/mol
Exact Mass298.13
IUPAC Name(1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
SMILESC[C@@H](O)c1cc(Cl)ccc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H23ClO3/c1-10(18)12-8-11(17)6-7-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,10,14,18H,9H2,1-5H3/t10-,14?/m1/s1
InChIKeyUSPLXSWFRXAEHY-IAPIXIRKSA-N
XLogP4.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 104940321
1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 102948479
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 114621610
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
(1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 104940261
N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 114621113
3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane
CID 107691461
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
CID 79899374
1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine
CID 114621180
(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622632
1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol
CID 103547438
1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 55031218

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol?
The IUPAC name of (1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol (CID 104940303) is (1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol?
The canonical SMILES for (1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol is C[C@@H](O)c1cc(Cl)ccc1OC1CC(C)(C)OC1(C)C.
What is the InChIKey of (1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol?
The InChIKey is USPLXSWFRXAEHY-IAPIXIRKSA-N. The full InChI is InChI=1S/C16H23ClO3/c1-10(18)12-8-11(17)6-7-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,10,14,18H,9H2,1-5H3/t10-,14?/m1/s1.
What are the key properties of (1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol?
(1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol has a molecular weight of 298.81 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol is sourced from PubChem (CID 104940303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).