(4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one

C23H24O3 — CID 73345309

IUPAC(4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one
SMILESCc1cc(C)c2c(c1)/C(=C\[C@@H]1C[C@@H](O)CC(=O)O1)c1c(C)cc(C)cc1-2
InChIInChI=1S/C23H24O3/c1-12-5-14(3)22-18(7-12)19(11-17-9-16(24)10-21(25)26-17)23-15(4)6-13(2)8-20(22)23/h5-8,11,16-17,24H,9-10H2,1-4H3/b19-11+/t16-,17+/m1/s1
InChIKeyYJDJAAUKUBEUGL-SGNWVPJISA-N
MW348.44 g/mol
LogP4.40
Rot. Bonds1

About (4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one

(4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one (PubChem CID 73345309) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is (4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one
PubChem CID73345309
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name(4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one
SMILESCc1cc(C)c2c(c1)/C(=C\[C@@H]1C[C@@H](O)CC(=O)O1)c1c(C)cc(C)cc1-2
InChIInChI=1S/C23H24O3/c1-12-5-14(3)22-18(7-12)19(11-17-9-16(24)10-21(25)26-17)23-15(4)6-13(2)8-20(22)23/h5-8,11,16-17,24H,9-10H2,1-4H3/b19-11+/t16-,17+/m1/s1
InChIKeyYJDJAAUKUBEUGL-SGNWVPJISA-N
XLogP4.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one?
The IUPAC name of (4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one (CID 73345309) is (4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one.
What is the SMILES notation for (4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one?
The canonical SMILES for (4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one is Cc1cc(C)c2c(c1)/C(=C\[C@@H]1C[C@@H](O)CC(=O)O1)c1c(C)cc(C)cc1-2.
What is the InChIKey of (4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one?
The InChIKey is YJDJAAUKUBEUGL-SGNWVPJISA-N. The full InChI is InChI=1S/C23H24O3/c1-12-5-14(3)22-18(7-12)19(11-17-9-16(24)10-21(25)26-17)23-15(4)6-13(2)8-20(22)23/h5-8,11,16-17,24H,9-10H2,1-4H3/b19-11+/t16-,17+/m1/s1.
What are the key properties of (4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one?
(4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one has a molecular weight of 348.44 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-hydroxy-6-[(E)-(1,3,5,7-tetramethylfluoren-9-ylidene)methyl]oxan-2-one is sourced from PubChem (CID 73345309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).