1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate

C15H13O3S- — CID 175313900

IUPAC1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate
SMILESO=S([O-])C(C=Cc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C15H14O3S/c16-14-8-4-7-13(11-14)15(19(17)18)10-9-12-5-2-1-3-6-12/h1-11,15-16H,(H,17,18)/p-1
InChIKeyNJONMCJRHHUICT-UHFFFAOYSA-M
MW273.33 g/mol
LogP3.03
Rot. Bonds4

About 1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate

1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate (PubChem CID 175313900) has the molecular formula C15H13O3S- and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate
PubChem CID175313900
Molecular FormulaC15H13O3S-
Molecular Weight273.33 g/mol
Exact Mass273.06
IUPAC Name1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate
SMILESO=S([O-])C(C=Cc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C15H14O3S/c16-14-8-4-7-13(11-14)15(19(17)18)10-9-12-5-2-1-3-6-12/h1-11,15-16H,(H,17,18)/p-1
InChIKeyNJONMCJRHHUICT-UHFFFAOYSA-M
XLogP3.03
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
3-phenyl-1-(4-phenylphenyl)prop-2-ene-1-sulfinic acid
CID 175288018
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
4-(3,3-diphenylprop-1-enyl)phenol
CID 174315137
3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite
CID 25267770
hydrogen sulfite;phenol
CID 53433159
2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol
CID 25224834
N-[(3-hydroxyphenyl)-phenylmethyl]formamide
CID 86676910
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
(3R)-3-(3-hydroxyphenyl)hex-4-enoic acid
CID 67430735
(E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide
CID 107735974
1-(3-fluoro-2-hydroxy-5-iodophenyl)-3-phenylprop-2-ene-1-sulfinic acid
CID 174746173

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate?
The IUPAC name of 1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate (CID 175313900) is 1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate is O=S([O-])C(C=Cc1ccccc1)c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate?
The InChIKey is NJONMCJRHHUICT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14O3S/c16-14-8-4-7-13(11-14)15(19(17)18)10-9-12-5-2-1-3-6-12/h1-11,15-16H,(H,17,18)/p-1.
What are the key properties of 1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate?
1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate has a molecular weight of 273.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-phenylprop-2-ene-1-sulfinate is sourced from PubChem (CID 175313900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).