1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid

C15H14O3S — CID 174875246

IUPAC1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid
SMILESO=S(O)C(C=Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H14O3S/c16-14-9-7-13(8-10-14)15(19(17)18)11-6-12-4-2-1-3-5-12/h1-11,15-16H,(H,17,18)
InChIKeyRYKKQRLSDVBFKD-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.37
Rot. Bonds4

About 1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid

1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid (PubChem CID 174875246) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid
PubChem CID174875246
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid
SMILESO=S(O)C(C=Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H14O3S/c16-14-9-7-13(8-10-14)15(19(17)18)11-6-12-4-2-1-3-5-12/h1-11,15-16H,(H,17,18)
InChIKeyRYKKQRLSDVBFKD-UHFFFAOYSA-N
XLogP3.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid
CID 175288018
1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-phenylprop-2-ene-1-sulfinic acid
CID 174875249
1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate
CID 175313900
4-(3,3-diphenylprop-1-enyl)phenol
CID 174315137
1-(3-fluoro-2-hydroxy-5-iodophenyl)-3-phenylprop-2-ene-1-sulfinic acid
CID 174746173
4-(2-phenylethenyl)phenol
CID 157400568
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
3-phenylprop-2-ene-1,1-diol
CID 54432533
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol
CID 25224834
phenol;(E)-3-phenylprop-2-enal
CID 159568112
[(E)-3-nitrobut-1-enyl]benzene
CID 88669673

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid?
The IUPAC name of 1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid (CID 174875246) is 1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid is O=S(O)C(C=Cc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid?
The InChIKey is RYKKQRLSDVBFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c16-14-9-7-13(8-10-14)15(19(17)18)11-6-12-4-2-1-3-5-12/h1-11,15-16H,(H,17,18).
What are the key properties of 1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid?
1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid has a molecular weight of 274.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinic acid is sourced from PubChem (CID 174875246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).