3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol

C20H30ClNO3 — CID 163733026

IUPAC3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol
SMILESCCc1cc(Cl)cc(CC)c1C1C(O)NC2(CCC(OC)CC2)C1O
InChIInChI=1S/C20H30ClNO3/c1-4-12-10-14(21)11-13(5-2)16(12)17-18(23)20(22-19(17)24)8-6-15(25-3)7-9-20/h10-11,15,17-19,22-24H,4-9H2,1-3H3
InChIKeyLBFUWQYWPJCNGY-UHFFFAOYSA-N
MW367.92 g/mol
LogP3.16
Rot. Bonds4

About 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol

3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol (PubChem CID 163733026) has the molecular formula C20H30ClNO3 and a molecular weight of 367.92 g/mol. Its IUPAC name is 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol.

Molecular Properties

Compound Name3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol
PubChem CID163733026
Molecular FormulaC20H30ClNO3
Molecular Weight367.92 g/mol
Exact Mass367.19
IUPAC Name3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol
SMILESCCc1cc(Cl)cc(CC)c1C1C(O)NC2(CCC(OC)CC2)C1O
InChIInChI=1S/C20H30ClNO3/c1-4-12-10-14(21)11-13(5-2)16(12)17-18(23)20(22-19(17)24)8-6-15(25-3)7-9-20/h10-11,15,17-19,22-24H,4-9H2,1-3H3
InChIKeyLBFUWQYWPJCNGY-UHFFFAOYSA-N
XLogP3.16
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol?
The IUPAC name of 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol (CID 163733026) is 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol.
What is the SMILES notation for 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol?
The canonical SMILES for 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol is CCc1cc(Cl)cc(CC)c1C1C(O)NC2(CCC(OC)CC2)C1O.
What is the InChIKey of 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol?
The InChIKey is LBFUWQYWPJCNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO3/c1-4-12-10-14(21)11-13(5-2)16(12)17-18(23)20(22-19(17)24)8-6-15(25-3)7-9-20/h10-11,15,17-19,22-24H,4-9H2,1-3H3.
What are the key properties of 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol?
3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol has a molecular weight of 367.92 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,6-diethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-diol is sourced from PubChem (CID 163733026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).