3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid

C21H18O2S — CID 175288018

IUPAC3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid
SMILESO=S(O)C(C=Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O2S/c22-24(23)21(16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-16,21H,(H,22,23)
InChIKeyRYWRHTCYCWVGJM-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.33
Rot. Bonds5

About 3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid

3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid (PubChem CID 175288018) has the molecular formula C21H18O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid.

Molecular Properties

Compound Name3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid
PubChem CID175288018
Molecular FormulaC21H18O2S
Molecular Weight334.44 g/mol
Exact Mass334.10
IUPAC Name3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid
SMILESO=S(O)C(C=Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18O2S/c22-24(23)21(16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-16,21H,(H,22,23)
InChIKeyRYWRHTCYCWVGJM-UHFFFAOYSA-N
XLogP5.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid
CID 174875246
1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-phenylprop-2-ene-1-sulfinic acid
CID 174875249
1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene
CID 102073243
1-(3-fluoro-2-hydroxy-5-iodophenyl)-3-phenylprop-2-ene-1-sulfinic acid
CID 174746173
(E)-4-(4-phenylphenyl)but-3-en-2-amine
CID 83350140
2-ethyl-4-(4-phenylphenyl)but-3-enoic acid
CID 70478467
1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate
CID 175313900
3-phenylprop-2-ene-1,1-diol
CID 54432533
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
5-phenyl-2-(4-phenylbut-3-en-2-yl)pyridine
CID 175403144
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
[(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid
CID 71653547

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid?
The IUPAC name of 3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid (CID 175288018) is 3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid.
What is the SMILES notation for 3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid?
The canonical SMILES for 3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid is O=S(O)C(C=Cc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid?
The InChIKey is RYWRHTCYCWVGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2S/c22-24(23)21(16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-16,21H,(H,22,23).
What are the key properties of 3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid?
3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid has a molecular weight of 334.44 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid is sourced from PubChem (CID 175288018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).