3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one

C17H18Cl2O5 — CID 143282222

IUPAC3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one
SMILESO=C1OC2(CCOCCCOCC2)C(O)=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2O5/c18-11-2-3-12(13(19)10-11)14-15(20)17(24-16(14)21)4-8-22-6-1-7-23-9-5-17/h2-3,10,20H,1,4-9H2
InChIKeyIAHLOKNFOGYYLR-UHFFFAOYSA-N
MW373.23 g/mol
LogP3.78
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one

3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one (PubChem CID 143282222) has the molecular formula C17H18Cl2O5 and a molecular weight of 373.23 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one
PubChem CID143282222
Molecular FormulaC17H18Cl2O5
Molecular Weight373.23 g/mol
Exact Mass372.05
IUPAC Name3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one
SMILESO=C1OC2(CCOCCCOCC2)C(O)=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2O5/c18-11-2-3-12(13(19)10-11)14-15(20)17(24-16(14)21)4-8-22-6-1-7-23-9-5-17/h2-3,10,20H,1,4-9H2
InChIKeyIAHLOKNFOGYYLR-UHFFFAOYSA-N
XLogP3.78
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1,8-dioxaspiro[4.5]dec-3-en-2-one
CID 67378761
3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one
CID 171483099
3-[4-(4-aminophenyl)-5-chloro-2-methylphenyl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 59159696
3-(2,4-dichlorophenyl)-4-hydroxy-7,9-dioxa-1-azaspiro[4.5]dec-3-en-2-one
CID 59945447
butyl 3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
CID 141491395
(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone
CID 116604624
9-(4-chloro-2-methylphenyl)-8-hydroxy-3-oxaspiro[5.5]undec-8-en-10-one
CID 59400570
3-[5-chloro-4-(3-ethenylsulfonylphenyl)-2-methylphenyl]-4-hydroxy-8-(morpholine-4-carbonyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 143631672
[3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 66797755
3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-N-cyclopropylbenzamide
CID 59159723
10-[3-(4-chlorophenyl)-2,4,6-trimethylphenyl]-9-hydroxy-4,12-dioxadispiro[4.2.48.25]tetradec-9-en-11-one
CID 87941926
3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 59584769

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one (CID 143282222) is 3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one is O=C1OC2(CCOCCCOCC2)C(O)=C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one?
The InChIKey is IAHLOKNFOGYYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O5/c18-11-2-3-12(13(19)10-11)14-15(20)17(24-16(14)21)4-8-22-6-1-7-23-9-5-17/h2-3,10,20H,1,4-9H2.
What are the key properties of 3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one?
3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one has a molecular weight of 373.23 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-hydroxy-1,8,12-trioxaspiro[4.9]tetradec-3-en-2-one is sourced from PubChem (CID 143282222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).