1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol

C24H18O3S — CID 138979881

IUPAC1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol
SMILESO=S(=O)(/C(=C/c1ccccc1)c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H18O3S/c25-22-16-15-19-11-7-8-14-21(19)24(22)23(17-18-9-3-1-4-10-18)28(26,27)20-12-5-2-6-13-20/h1-17,25H/b23-17+
InChIKeyBXZIRBKJTURFSR-HAVVHWLPSA-N
MW386.47 g/mol
LogP5.52
Rot. Bonds4

About 1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol

1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol (PubChem CID 138979881) has the molecular formula C24H18O3S and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol
PubChem CID138979881
Molecular FormulaC24H18O3S
Molecular Weight386.47 g/mol
Exact Mass386.10
IUPAC Name1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol
SMILESO=S(=O)(/C(=C/c1ccccc1)c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H18O3S/c25-22-16-15-19-11-7-8-14-21(19)24(22)23(17-18-9-3-1-4-10-18)28(26,27)20-12-5-2-6-13-20/h1-17,25H/b23-17+
InChIKeyBXZIRBKJTURFSR-HAVVHWLPSA-N
XLogP5.52
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260
(E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid
CID 82263015
(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide
CID 135452793
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]benzene
CID 134986797
2-hydroxynaphthalene-1-carboxylic acid;naphthalene-1-sulfonic acid
CID 175565769
3-[(Z)-1-(benzenesulfonyl)-2-phenylethenyl]pyridine
CID 169237898
(Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid
CID 10565275
1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol
CID 132502188
1,2-diphenylethenesulfonamide
CID 54513105
[1-[(Z)-1,2-diphenylethenyl]naphthalen-2-yl] trifluoromethanesulfonate
CID 138979887
2-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279236

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol (CID 138979881) is 1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol is O=S(=O)(/C(=C/c1ccccc1)c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol?
The InChIKey is BXZIRBKJTURFSR-HAVVHWLPSA-N. The full InChI is InChI=1S/C24H18O3S/c25-22-16-15-19-11-7-8-14-21(19)24(22)23(17-18-9-3-1-4-10-18)28(26,27)20-12-5-2-6-13-20/h1-17,25H/b23-17+.
What are the key properties of 1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol?
1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol has a molecular weight of 386.47 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]naphthalen-2-ol is sourced from PubChem (CID 138979881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).