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

C17H23ClO3 — CID 79899374

IUPAC(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
SMILESC[C@@H](O)c1cc(Cl)ccc1OC1CCOC2(CCCC2)C1
InChIInChI=1S/C17H23ClO3/c1-12(19)15-10-13(18)4-5-16(15)21-14-6-9-20-17(11-14)7-2-3-8-17/h4-5,10,12,14,19H,2-3,6-9,11H2,1H3/t12-,14?/m1/s1
InChIKeyWWUGCTNPHWYBPB-PUODRLBUSA-N
MW310.82 g/mol
LogP4.26
Rot. Bonds3

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

(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol (PubChem CID 79899374) has the molecular formula C17H23ClO3 and a molecular weight of 310.82 g/mol. Its IUPAC name is (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
PubChem CID79899374
Molecular FormulaC17H23ClO3
Molecular Weight310.82 g/mol
Exact Mass310.13
IUPAC Name(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
SMILESC[C@@H](O)c1cc(Cl)ccc1OC1CCOC2(CCCC2)C1
InChIInChI=1S/C17H23ClO3/c1-12(19)15-10-13(18)4-5-16(15)21-14-6-9-20-17(11-14)7-2-3-8-17/h4-5,10,12,14,19H,2-3,6-9,11H2,1H3/t12-,14?/m1/s1
InChIKeyWWUGCTNPHWYBPB-PUODRLBUSA-N
XLogP4.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79900456
(1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
CID 79899388
(1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol
CID 79893699
8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 79923323
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
2-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79908194
9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
CID 79923322
4-chloro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
CID 114323579
4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
CID 114323370
(5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016736
1-[5-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanone
CID 79901655
4-(4-bromo-2-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79906041

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol (CID 79899374) is (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol is C[C@@H](O)c1cc(Cl)ccc1OC1CCOC2(CCCC2)C1.
What is the InChIKey of (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol?
The InChIKey is WWUGCTNPHWYBPB-PUODRLBUSA-N. The full InChI is InChI=1S/C17H23ClO3/c1-12(19)15-10-13(18)4-5-16(15)21-14-6-9-20-17(11-14)7-2-3-8-17/h4-5,10,12,14,19H,2-3,6-9,11H2,1H3/t12-,14?/m1/s1.
What are the key properties of (1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol?
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol has a molecular weight of 310.82 g/mol, XLogP of 4.26, 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-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol is sourced from PubChem (CID 79899374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).