(1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol

C18H26O3 — CID 79899388

IUPAC(1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
SMILESCc1ccc(OC2CCOC3(CCCC3)C2)c([C@@H](C)O)c1
InChIInChI=1S/C18H26O3/c1-13-5-6-17(16(11-13)14(2)19)21-15-7-10-20-18(12-15)8-3-4-9-18/h5-6,11,14-15,19H,3-4,7-10,12H2,1-2H3/t14-,15?/m1/s1
InChIKeyKDAFTAPFSRPZPG-GICMACPYSA-N
MW290.40 g/mol
LogP3.92
Rot. Bonds3

About (1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol

(1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol (PubChem CID 79899388) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
PubChem CID79899388
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
SMILESCc1ccc(OC2CCOC3(CCCC3)C2)c([C@@H](C)O)c1
InChIInChI=1S/C18H26O3/c1-13-5-6-17(16(11-13)14(2)19)21-15-7-10-20-18(12-15)8-3-4-9-18/h5-6,11,14-15,19H,3-4,7-10,12H2,1-2H3/t14-,15?/m1/s1
InChIKeyKDAFTAPFSRPZPG-GICMACPYSA-N
XLogP3.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol with MolForge

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Related Compounds

(1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol
CID 79893699
(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
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
4-(4-bromo-2-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79906041
[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-5-methylphenyl]methanol
CID 79899358
9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
CID 107284316
4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
CID 81005535
4-[2-(chloromethyl)-4-methylphenoxy]-1,9-dioxaspiro[5.5]undecane
CID 79900248

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol (CID 79899388) is (1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol is Cc1ccc(OC2CCOC3(CCCC3)C2)c([C@@H](C)O)c1.
What is the InChIKey of (1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol?
The InChIKey is KDAFTAPFSRPZPG-GICMACPYSA-N. The full InChI is InChI=1S/C18H26O3/c1-13-5-6-17(16(11-13)14(2)19)21-15-7-10-20-18(12-15)8-3-4-9-18/h5-6,11,14-15,19H,3-4,7-10,12H2,1-2H3/t14-,15?/m1/s1.
What are the key properties of (1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol?
(1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol has a molecular weight of 290.40 g/mol, XLogP of 3.92, 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-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol is sourced from PubChem (CID 79899388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).