[2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene

C22H20OS — CID 562543

IUPAC[2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene
SMILESO=S(CC1C(c2ccccc2)C1c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20OS/c23-24(19-14-8-3-9-15-19)16-20-21(17-10-4-1-5-11-17)22(20)18-12-6-2-7-13-18/h1-15,20-22H,16H2
InChIKeyMVULGCSHGFLUBH-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.99
Rot. Bonds5

About [2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene

[2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene (PubChem CID 562543) has the molecular formula C22H20OS and a molecular weight of 332.47 g/mol. Its IUPAC name is [2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene.

Molecular Properties

Compound Name[2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene
PubChem CID562543
Molecular FormulaC22H20OS
Molecular Weight332.47 g/mol
Exact Mass332.12
IUPAC Name[2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene
SMILESO=S(CC1C(c2ccccc2)C1c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20OS/c23-24(19-14-8-3-9-15-19)16-20-21(17-10-4-1-5-11-17)22(20)18-12-6-2-7-13-18/h1-15,20-22H,16H2
InChIKeyMVULGCSHGFLUBH-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene?
The IUPAC name of [2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene (CID 562543) is [2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene.
What is the SMILES notation for [2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene?
The canonical SMILES for [2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene is O=S(CC1C(c2ccccc2)C1c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene?
The InChIKey is MVULGCSHGFLUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20OS/c23-24(19-14-8-3-9-15-19)16-20-21(17-10-4-1-5-11-17)22(20)18-12-6-2-7-13-18/h1-15,20-22H,16H2.
What are the key properties of [2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene?
[2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene has a molecular weight of 332.47 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfinylmethyl)-3-phenylcyclopropyl]benzene is sourced from PubChem (CID 562543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).