(1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol

C17H24O3 — CID 79893699

IUPAC(1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol
SMILESCc1ccc(OC2CCOC3(CCC3)C2)c([C@@H](C)O)c1
InChIInChI=1S/C17H24O3/c1-12-4-5-16(15(10-12)13(2)18)20-14-6-9-19-17(11-14)7-3-8-17/h4-5,10,13-14,18H,3,6-9,11H2,1-2H3/t13-,14?/m1/s1
InChIKeyYSURBZBVWCTWBG-KWCCSABGSA-N
MW276.38 g/mol
LogP3.53
Rot. Bonds3

About (1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol

(1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol (PubChem CID 79893699) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol
PubChem CID79893699
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol
SMILESCc1ccc(OC2CCOC3(CCC3)C2)c([C@@H](C)O)c1
InChIInChI=1S/C17H24O3/c1-12-4-5-16(15(10-12)13(2)18)20-14-6-9-19-17(11-14)7-3-8-17/h4-5,10,13-14,18H,3,6-9,11H2,1-2H3/t13-,14?/m1/s1
InChIKeyYSURBZBVWCTWBG-KWCCSABGSA-N
XLogP3.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
CID 79899388
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
CID 79899374
1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135051
9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
CID 79923322
4-[2-(chloromethyl)-4-methylphenoxy]-1-oxaspiro[5.5]undecane
CID 79900246
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79900456
[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol
CID 79899358
1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 102946379
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 79923323
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904771

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol (CID 79893699) is (1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol is Cc1ccc(OC2CCOC3(CCC3)C2)c([C@@H](C)O)c1.
What is the InChIKey of (1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol?
The InChIKey is YSURBZBVWCTWBG-KWCCSABGSA-N. The full InChI is InChI=1S/C17H24O3/c1-12-4-5-16(15(10-12)13(2)18)20-14-6-9-19-17(11-14)7-3-8-17/h4-5,10,13-14,18H,3,6-9,11H2,1-2H3/t13-,14?/m1/s1.
What are the key properties of (1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol?
(1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol has a molecular weight of 276.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol is sourced from PubChem (CID 79893699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).