(5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one

C24H24O5 — CID 102411756

IUPAC(5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one
SMILESCc1ccc(OC[C@H]2O[C@@H](/C=C3/C=CC(=O)O3)C[C@@H]2Oc2ccc(C)cc2)cc1
InChIInChI=1S/C24H24O5/c1-16-3-7-18(8-4-16)26-15-23-22(27-19-9-5-17(2)6-10-19)14-21(28-23)13-20-11-12-24(25)29-20/h3-13,21-23H,14-15H2,1-2H3/b20-13-/t21-,22-,23+/m0/s1
InChIKeyKANOVZOLUPVXCR-ZOZLTXRASA-N
MW392.45 g/mol
LogP4.28
Rot. Bonds6

About (5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one

(5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one (PubChem CID 102411756) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is (5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one
PubChem CID102411756
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Name(5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one
SMILESCc1ccc(OC[C@H]2O[C@@H](/C=C3/C=CC(=O)O3)C[C@@H]2Oc2ccc(C)cc2)cc1
InChIInChI=1S/C24H24O5/c1-16-3-7-18(8-4-16)26-15-23-22(27-19-9-5-17(2)6-10-19)14-21(28-23)13-20-11-12-24(25)29-20/h3-13,21-23H,14-15H2,1-2H3/b20-13-/t21-,22-,23+/m0/s1
InChIKeyKANOVZOLUPVXCR-ZOZLTXRASA-N
XLogP4.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 10741582
1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]triazole-4-carboxylic acid
CID 102467056
2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan
CID 102045264
1-[2-acetyl-5-[(4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-1,3-dihydroinden-2-yl]ethanone
CID 102187369
4-methoxy-1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]pyrazolo[5,4-d]pyrimidine
CID 14410737
7-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-4-methylsulfanylpyrrolo[2,3-d]pyrimidine
CID 23278082
1-[1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]triazol-4-yl]hexan-1-ol
CID 102467054
ethyl 2-acetyl-5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-1,3-dihydroindene-2-carboxylate
CID 102187373
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054
6-(ethylamino)-1-[(2R,4R,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-2-phenyl-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione
CID 135007559
1-[(2R,4S,5R)-5-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-4-pyridin-4-yloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101464811
4-chloro-7-[[1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]triazol-4-yl]methyl]pyrrolo[2,3-d]pyrimidine
CID 44579214

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one?
The IUPAC name of (5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one (CID 102411756) is (5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one.
What is the SMILES notation for (5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one?
The canonical SMILES for (5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one is Cc1ccc(OC[C@H]2O[C@@H](/C=C3/C=CC(=O)O3)C[C@@H]2Oc2ccc(C)cc2)cc1.
What is the InChIKey of (5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one?
The InChIKey is KANOVZOLUPVXCR-ZOZLTXRASA-N. The full InChI is InChI=1S/C24H24O5/c1-16-3-7-18(8-4-16)26-15-23-22(27-19-9-5-17(2)6-10-19)14-21(28-23)13-20-11-12-24(25)29-20/h3-13,21-23H,14-15H2,1-2H3/b20-13-/t21-,22-,23+/m0/s1.
What are the key properties of (5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one?
(5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one has a molecular weight of 392.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one is sourced from PubChem (CID 102411756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).