2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene

C20H18S — CID 135011357

IUPAC2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene
SMILESC=CC(Sc1ccc(C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H18S/c1-3-20(21-19-12-8-15(2)9-13-19)18-11-10-16-6-4-5-7-17(16)14-18/h3-14,20H,1H2,2H3
InChIKeySXYIROJISZIWTB-UHFFFAOYSA-N
MW290.43 g/mol
LogP6.17
Rot. Bonds4

About 2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene

2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene (PubChem CID 135011357) has the molecular formula C20H18S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene
PubChem CID135011357
Molecular FormulaC20H18S
Molecular Weight290.43 g/mol
Exact Mass290.11
IUPAC Name2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene
SMILESC=CC(Sc1ccc(C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H18S/c1-3-20(21-19-12-8-15(2)9-13-19)18-11-10-16-6-4-5-7-17(16)14-18/h3-14,20H,1H2,2H3
InChIKeySXYIROJISZIWTB-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.43
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene?
The IUPAC name of 2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene (CID 135011357) is 2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene.
What is the SMILES notation for 2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene?
The canonical SMILES for 2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene is C=CC(Sc1ccc(C)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene?
The InChIKey is SXYIROJISZIWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18S/c1-3-20(21-19-12-8-15(2)9-13-19)18-11-10-16-6-4-5-7-17(16)14-18/h3-14,20H,1H2,2H3.
What are the key properties of 2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene?
2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene has a molecular weight of 290.43 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)sulfanylprop-2-enyl]naphthalene is sourced from PubChem (CID 135011357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).