(5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one

C20H20O4 — CID 129388277

IUPAC(5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one
SMILESCC1=C(c2ccc(OCc3ccccc3)cc2C)[C@@](C)(O)OC1=O
InChIInChI=1S/C20H20O4/c1-13-11-16(23-12-15-7-5-4-6-8-15)9-10-17(13)18-14(2)19(21)24-20(18,3)22/h4-11,22H,12H2,1-3H3/t20-/m0/s1
InChIKeyHSKOOJRIFYBLHH-FQEVSTJZSA-N
MW324.38 g/mol
LogP3.61
Rot. Bonds4

About (5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one

(5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one (PubChem CID 129388277) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one.

Molecular Properties

Compound Name(5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one
PubChem CID129388277
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one
SMILESCC1=C(c2ccc(OCc3ccccc3)cc2C)[C@@](C)(O)OC1=O
InChIInChI=1S/C20H20O4/c1-13-11-16(23-12-15-7-5-4-6-8-15)9-10-17(13)18-14(2)19(21)24-20(18,3)22/h4-11,22H,12H2,1-3H3/t20-/m0/s1
InChIKeyHSKOOJRIFYBLHH-FQEVSTJZSA-N
XLogP3.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
2,2-dimethyl-5-[(2-methyl-4-phenylmethoxyphenyl)methylidene]-1,3-dioxane-4,6-dione
CID 168598441
3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid
CID 154948715
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
4,4,5,5-tetramethyl-2-(2-methyl-4-phenylmethoxyphenyl)-1,3,2-dioxaborolane
CID 83137097
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanone
CID 82553608
5,6-dimethyl-2-phenylmethoxyfluoren-9-one
CID 82579583
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
2-amino-4-(2-methyl-4-phenylmethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393316
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903

Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one?
The IUPAC name of (5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one (CID 129388277) is (5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one.
What is the SMILES notation for (5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one?
The canonical SMILES for (5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one is CC1=C(c2ccc(OCc3ccccc3)cc2C)[C@@](C)(O)OC1=O.
What is the InChIKey of (5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one?
The InChIKey is HSKOOJRIFYBLHH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20O4/c1-13-11-16(23-12-15-7-5-4-6-8-15)9-10-17(13)18-14(2)19(21)24-20(18,3)22/h4-11,22H,12H2,1-3H3/t20-/m0/s1.
What are the key properties of (5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one?
(5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one has a molecular weight of 324.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one is sourced from PubChem (CID 129388277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).