4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one

C17H20O4 — CID 54710503

IUPAC4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCOc1ccc(CC2=C(O)C3(CCCCC3)OC2=O)cc1
InChIInChI=1S/C17H20O4/c1-20-13-7-5-12(6-8-13)11-14-15(18)17(21-16(14)19)9-3-2-4-10-17/h5-8,18H,2-4,9-11H2,1H3
InChIKeyOJZRVAGBSMFCDG-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.31
Rot. Bonds3

About 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one

4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 54710503) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID54710503
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCOc1ccc(CC2=C(O)C3(CCCCC3)OC2=O)cc1
InChIInChI=1S/C17H20O4/c1-20-13-7-5-12(6-8-13)11-14-15(18)17(21-16(14)19)9-3-2-4-10-17/h5-8,18H,2-4,9-11H2,1H3
InChIKeyOJZRVAGBSMFCDG-UHFFFAOYSA-N
XLogP3.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69475295
3-[(6-chloro-3-pyridinyl)methyl]-4-(methylamino)-1-oxaspiro[4.5]dec-3-en-2-one
CID 138977284
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
(3S)-3-benzyl-4-[(4-methoxyphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-5-one
CID 10872588
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 20861483
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
2-(4-methoxyphenyl)-1-oxaspiro[4.5]decan-4-one
CID 71394804
2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 65214030
1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one
CID 116750532
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one (CID 54710503) is 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one is COc1ccc(CC2=C(O)C3(CCCCC3)OC2=O)cc1.
What is the InChIKey of 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is OJZRVAGBSMFCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-20-13-7-5-12(6-8-13)11-14-15(18)17(21-16(14)19)9-3-2-4-10-17/h5-8,18H,2-4,9-11H2,1H3.
What are the key properties of 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one?
4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 288.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 54710503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).