1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene

C28H25FO5S — CID 57380904

IUPAC1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene
SMILESCOc1cc([S@@](=O)c2c(OC)ccc3ccccc23)c(/C=C/c2ccc(F)cc2)c(OC)c1OC
InChIInChI=1S/C28H25FO5S/c1-31-23-16-12-19-7-5-6-8-21(19)28(23)35(30)25-17-24(32-2)27(34-4)26(33-3)22(25)15-11-18-9-13-20(29)14-10-18/h5-17H,1-4H3/b15-11+/t35-/m1/s1
InChIKeyJNYDASCDINKTEE-KKQDOYGZSA-N
MW492.57 g/mol
LogP6.35
Rot. Bonds8

About 1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene

1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene (PubChem CID 57380904) has the molecular formula C28H25FO5S and a molecular weight of 492.57 g/mol. Its IUPAC name is 1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene.

Molecular Properties

Compound Name1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene
PubChem CID57380904
Molecular FormulaC28H25FO5S
Molecular Weight492.57 g/mol
Exact Mass492.14
IUPAC Name1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene
SMILESCOc1cc([S@@](=O)c2c(OC)ccc3ccccc23)c(/C=C/c2ccc(F)cc2)c(OC)c1OC
InChIInChI=1S/C28H25FO5S/c1-31-23-16-12-19-7-5-6-8-21(19)28(23)35(30)25-17-24(32-2)27(34-4)26(33-3)22(25)15-11-18-9-13-20(29)14-10-18/h5-17H,1-4H3/b15-11+/t35-/m1/s1
InChIKeyJNYDASCDINKTEE-KKQDOYGZSA-N
XLogP6.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.57
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5,6-tetramethoxyphenyl]sulfinyl-2-methoxynaphthalene
CID 102112900
2-methoxy-1-[2-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]ethenyl]naphthalene
CID 75293754
2-methoxynaphthalene-1-sulfinic acid
CID 1484864
(R)-2-methoxynaphthalene-1-sulfinamide
CID 40542898
2-[2-(2-methoxynaphthalen-1-yl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole
CID 101134260
3-(3-chloro-4-methoxyphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966826
1,4-dimethoxy-2-methylsulfinylnaphthalene
CID 139590661
(1-methoxynaphthalen-2-yl) formate
CID 19815208
5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile
CID 141428072
3-(5-chloro-2-methoxyphenyl)-2-[(Z)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966914
1-bromo-4-[(E)-2-(4-fluorophenyl)ethenyl]-2-methoxybenzene
CID 130290825
1,2,3,4,5-pentabromo-6-[2-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzene
CID 141245082

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene?
The IUPAC name of 1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene (CID 57380904) is 1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene.
What is the SMILES notation for 1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene?
The canonical SMILES for 1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene is COc1cc([S@@](=O)c2c(OC)ccc3ccccc23)c(/C=C/c2ccc(F)cc2)c(OC)c1OC.
What is the InChIKey of 1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene?
The InChIKey is JNYDASCDINKTEE-KKQDOYGZSA-N. The full InChI is InChI=1S/C28H25FO5S/c1-31-23-16-12-19-7-5-6-8-21(19)28(23)35(30)25-17-24(32-2)27(34-4)26(33-3)22(25)15-11-18-9-13-20(29)14-10-18/h5-17H,1-4H3/b15-11+/t35-/m1/s1.
What are the key properties of 1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene?
1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene has a molecular weight of 492.57 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3,4,5-trimethoxyphenyl]sulfinyl]-2-methoxynaphthalene is sourced from PubChem (CID 57380904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).