(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one

C25H18OS — CID 35581029

IUPAC(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one
SMILESO=C1c2cccc3cccc(c23)[C@H]1[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C25H18OS/c26-24-21-16-8-12-17-11-7-15-20(22(17)21)23(24)25(18-9-3-1-4-10-18)27-19-13-5-2-6-14-19/h1-16,23,25H/t23-,25-/m1/s1
InChIKeyBLDWPPBXFJYBGS-ILBGXUMGSA-N
MW366.49 g/mol
LogP6.65
Rot. Bonds4

About (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one

(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one (PubChem CID 35581029) has the molecular formula C25H18OS and a molecular weight of 366.49 g/mol. Its IUPAC name is (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one.

Molecular Properties

Compound Name(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one
PubChem CID35581029
Molecular FormulaC25H18OS
Molecular Weight366.49 g/mol
Exact Mass366.11
IUPAC Name(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one
SMILESO=C1c2cccc3cccc(c23)[C@H]1[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C25H18OS/c26-24-21-16-8-12-17-11-7-15-20(22(17)21)23(24)25(18-9-3-1-4-10-18)27-19-13-5-2-6-14-19/h1-16,23,25H/t23-,25-/m1/s1
InChIKeyBLDWPPBXFJYBGS-ILBGXUMGSA-N
XLogP6.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2H-acenaphthylen-1-one
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2-(3-oxo-1-phenylbutyl)indene-1,3-dione
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2-trimethylsilyloxy-2H-acenaphthylen-1-one
CID 11207595
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CID 18597523
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one?
The IUPAC name of (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one (CID 35581029) is (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one.
What is the SMILES notation for (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one?
The canonical SMILES for (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one is O=C1c2cccc3cccc(c23)[C@H]1[C@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one?
The InChIKey is BLDWPPBXFJYBGS-ILBGXUMGSA-N. The full InChI is InChI=1S/C25H18OS/c26-24-21-16-8-12-17-11-7-15-20(22(17)21)23(24)25(18-9-3-1-4-10-18)27-19-13-5-2-6-14-19/h1-16,23,25H/t23-,25-/m1/s1.
What are the key properties of (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one?
(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one has a molecular weight of 366.49 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one is sourced from PubChem (CID 35581029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).