1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene

C28H26O5S — CID 57380443

IUPAC1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene
SMILESCOc1ccc(/C=C/c2c([S@@](=O)c3c(OC)ccc4ccccc34)ccc(OC)c2OC)cc1
InChIInChI=1S/C28H26O5S/c1-30-21-13-9-19(10-14-21)11-15-23-26(18-17-24(31-2)27(23)33-4)34(29)28-22-8-6-5-7-20(22)12-16-25(28)32-3/h5-18H,1-4H3/b15-11+/t34-/m1/s1
InChIKeyXMXRRMNNFWUVAI-KVGQWCTNSA-N
MW474.58 g/mol
LogP6.21
Rot. Bonds8

About 1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene

1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene (PubChem CID 57380443) has the molecular formula C28H26O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is 1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene.

Molecular Properties

Compound Name1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene
PubChem CID57380443
Molecular FormulaC28H26O5S
Molecular Weight474.58 g/mol
Exact Mass474.15
IUPAC Name1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene
SMILESCOc1ccc(/C=C/c2c([S@@](=O)c3c(OC)ccc4ccccc34)ccc(OC)c2OC)cc1
InChIInChI=1S/C28H26O5S/c1-30-21-13-9-19(10-14-21)11-15-23-26(18-17-24(31-2)27(23)33-4)34(29)28-22-8-6-5-7-20(22)12-16-25(28)32-3/h5-18H,1-4H3/b15-11+/t34-/m1/s1
InChIKeyXMXRRMNNFWUVAI-KVGQWCTNSA-N
XLogP6.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxyphenyl 4-methoxy-1-naphthyl sulfone
CID 16226212
1-Methoxy-4-(4-methoxyphenyl)sulfanyl-naphthalene
CID 16226418
2-Naphthyl 4-methoxynaphthalenesulfonate
CID 1581607
2-(Benzenesulfinyl)-3-(4-methoxyphenyl)sulfanyl-naphthalene-1,4-diol
CID 15959329
1,1'-Sulfinylbis(2-methoxynaphthalene)
CID 14147519
2-Methoxy-1-phenylsulfanylnaphthalene
CID 132941159
Bis(4-methoxynaphthalen-1-yl)-(trifluoromethyl)sulfanium
CID 58332381
1,1,2,2-Tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[5-[4-(1-methoxynaphthalen-2-yl)oxyphenyl]sulfonyl-2-methylphenyl]ethoxy]ethanesulfonic acid
CID 58983616
(4-Methoxynaphthalen-1-yl)diphenylsulfonium trifluoromethanesulfonate
CID 87642175
(2-Methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium;trifluoromethanesulfonate
CID 158629450
[(4-Methoxynaphthalen-1-yl)-diphenyl-lambda4-sulfanyl] trifluoromethanesulfonate
CID 162514903
1-Methoxy-4-(4-methoxynaphthalen-1-yl)sulfonylnaphthalene
CID 14147521

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene?
The IUPAC name of 1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene (CID 57380443) is 1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene.
What is the SMILES notation for 1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene?
The canonical SMILES for 1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene is COc1ccc(/C=C/c2c([S@@](=O)c3c(OC)ccc4ccccc34)ccc(OC)c2OC)cc1.
What is the InChIKey of 1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene?
The InChIKey is XMXRRMNNFWUVAI-KVGQWCTNSA-N. The full InChI is InChI=1S/C28H26O5S/c1-30-21-13-9-19(10-14-21)11-15-23-26(18-17-24(31-2)27(23)33-4)34(29)28-22-8-6-5-7-20(22)12-16-25(28)32-3/h5-18H,1-4H3/b15-11+/t34-/m1/s1.
What are the key properties of 1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene?
1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene has a molecular weight of 474.58 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[3,4-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfinyl]-2-methoxynaphthalene is sourced from PubChem (CID 57380443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).