(4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one

C23H24O2 — CID 139093934

IUPAC(4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one
SMILESO=C1CCC[C@]2(CCC/C2=C\c2ccc(-c3ccccc3)cc2)[C@@H]1O
InChIInChI=1S/C23H24O2/c24-21-9-5-15-23(22(21)25)14-4-8-20(23)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-13,16,22,25H,4-5,8-9,14-15H2/b20-16+/t22-,23+/m1/s1
InChIKeyHMXKGYIHXQCIOQ-AUAXGQTGSA-N
MW332.44 g/mol
LogP5.02
Rot. Bonds2

About (4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one

(4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one (PubChem CID 139093934) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is (4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one.

Molecular Properties

Compound Name(4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one
PubChem CID139093934
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name(4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one
SMILESO=C1CCC[C@]2(CCC/C2=C\c2ccc(-c3ccccc3)cc2)[C@@H]1O
InChIInChI=1S/C23H24O2/c24-21-9-5-15-23(22(21)25)14-4-8-20(23)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-13,16,22,25H,4-5,8-9,14-15H2/b20-16+/t22-,23+/m1/s1
InChIKeyHMXKGYIHXQCIOQ-AUAXGQTGSA-N
XLogP5.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10455827
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Frequently Asked Questions

What is the IUPAC name of (4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one?
The IUPAC name of (4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one (CID 139093934) is (4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one.
What is the SMILES notation for (4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one?
The canonical SMILES for (4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one is O=C1CCC[C@]2(CCC/C2=C\c2ccc(-c3ccccc3)cc2)[C@@H]1O.
What is the InChIKey of (4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one?
The InChIKey is HMXKGYIHXQCIOQ-AUAXGQTGSA-N. The full InChI is InChI=1S/C23H24O2/c24-21-9-5-15-23(22(21)25)14-4-8-20(23)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-13,16,22,25H,4-5,8-9,14-15H2/b20-16+/t22-,23+/m1/s1.
What are the key properties of (4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one?
(4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one has a molecular weight of 332.44 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5S,10S)-10-hydroxy-4-[(4-phenylphenyl)methylidene]spiro[4.5]decan-9-one is sourced from PubChem (CID 139093934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).