1,2-diphenylethenyl hydrogen sulfite

C14H12O3S — CID 57013364

IUPAC1,2-diphenylethenyl hydrogen sulfite
SMILESO=S(O)OC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O3S/c15-18(16)17-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,15,16)
InChIKeyXWADJLFFWPEZMJ-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.34
Rot. Bonds4

About 1,2-diphenylethenyl hydrogen sulfite

1,2-diphenylethenyl hydrogen sulfite (PubChem CID 57013364) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 1,2-diphenylethenyl hydrogen sulfite.

Molecular Properties

Compound Name1,2-diphenylethenyl hydrogen sulfite
PubChem CID57013364
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name1,2-diphenylethenyl hydrogen sulfite
SMILESO=S(O)OC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O3S/c15-18(16)17-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,15,16)
InChIKeyXWADJLFFWPEZMJ-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-ethoxy-2-phenylethenyl]benzene
CID 12610888
[(Z)-1,2-diphenylethenoxy]methylbenzene
CID 134952285
1,2-diphenylethenyl dihydrogen phosphate
CID 57178972
tribromo-[(Z)-1,2-diphenylethenoxy]germane
CID 132573464
4-(1,2-diphenylethenoxy)butan-1-amine
CID 57175242
1,2-diphenylethenyl 3-phenylprop-2-enoate
CID 90922275
[(Z)-1-benzhydryloxy-2-phenylethenyl]benzene
CID 134952487
[(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene
CID 134935737
tert-butyl-[(Z)-1,2-diphenylethenoxy]-dimethylsilane
CID 10358065
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine
CID 57213266
[(E)-1-ethoxy-2-methylsulfinylethenyl]benzene
CID 121219020

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethenyl hydrogen sulfite?
The IUPAC name of 1,2-diphenylethenyl hydrogen sulfite (CID 57013364) is 1,2-diphenylethenyl hydrogen sulfite.
What is the SMILES notation for 1,2-diphenylethenyl hydrogen sulfite?
The canonical SMILES for 1,2-diphenylethenyl hydrogen sulfite is O=S(O)OC(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylethenyl hydrogen sulfite?
The InChIKey is XWADJLFFWPEZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c15-18(16)17-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,15,16).
What are the key properties of 1,2-diphenylethenyl hydrogen sulfite?
1,2-diphenylethenyl hydrogen sulfite has a molecular weight of 260.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethenyl hydrogen sulfite is sourced from PubChem (CID 57013364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).