(1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene

C19H18OS — CID 71209514

IUPAC(1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene
SMILESCC1=Cc2ccccc2/C1=C(/C)c1ccc(S(C)=O)cc1
InChIInChI=1S/C19H18OS/c1-13-12-16-6-4-5-7-18(16)19(13)14(2)15-8-10-17(11-9-15)21(3)20/h4-12H,1-3H3/b19-14-
InChIKeyXGLZHIZUHSWOQI-RGEXLXHISA-N
MW294.42 g/mol
LogP4.77
Rot. Bonds2

About (1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene

(1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene (PubChem CID 71209514) has the molecular formula C19H18OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene.

Molecular Properties

Compound Name(1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene
PubChem CID71209514
Molecular FormulaC19H18OS
Molecular Weight294.42 g/mol
Exact Mass294.11
IUPAC Name(1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene
SMILESCC1=Cc2ccccc2/C1=C(/C)c1ccc(S(C)=O)cc1
InChIInChI=1S/C19H18OS/c1-13-12-16-6-4-5-7-18(16)19(13)14(2)15-8-10-17(11-9-15)21(3)20/h4-12H,1-3H3/b19-14-
InChIKeyXGLZHIZUHSWOQI-RGEXLXHISA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene?
The IUPAC name of (1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene (CID 71209514) is (1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene.
What is the SMILES notation for (1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene?
The canonical SMILES for (1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene is CC1=Cc2ccccc2/C1=C(/C)c1ccc(S(C)=O)cc1.
What is the InChIKey of (1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene?
The InChIKey is XGLZHIZUHSWOQI-RGEXLXHISA-N. The full InChI is InChI=1S/C19H18OS/c1-13-12-16-6-4-5-7-18(16)19(13)14(2)15-8-10-17(11-9-15)21(3)20/h4-12H,1-3H3/b19-14-.
What are the key properties of (1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene?
(1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene has a molecular weight of 294.42 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-methyl-1-[1-(4-methylsulfinylphenyl)ethylidene]indene is sourced from PubChem (CID 71209514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).