2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane

C19H21FO2S — CID 5003671

IUPAC2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane
SMILESCc1ccccc1SCCCC1(c2ccc(F)cc2)OCCO1
InChIInChI=1S/C19H21FO2S/c1-15-5-2-3-6-18(15)23-14-4-11-19(21-12-13-22-19)16-7-9-17(20)10-8-16/h2-3,5-10H,4,11-14H2,1H3
InChIKeyBXHNQPSVZXPYRQ-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.91
Rot. Bonds6

About 2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane

2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane (PubChem CID 5003671) has the molecular formula C19H21FO2S and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane
PubChem CID5003671
Molecular FormulaC19H21FO2S
Molecular Weight332.44 g/mol
Exact Mass332.12
IUPAC Name2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane
SMILESCc1ccccc1SCCCC1(c2ccc(F)cc2)OCCO1
InChIInChI=1S/C19H21FO2S/c1-15-5-2-3-6-18(15)23-14-4-11-19(21-12-13-22-19)16-7-9-17(20)10-8-16/h2-3,5-10H,4,11-14H2,1H3
InChIKeyBXHNQPSVZXPYRQ-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane?
The IUPAC name of 2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane (CID 5003671) is 2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane?
The canonical SMILES for 2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane is Cc1ccccc1SCCCC1(c2ccc(F)cc2)OCCO1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane?
The InChIKey is BXHNQPSVZXPYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO2S/c1-15-5-2-3-6-18(15)23-14-4-11-19(21-12-13-22-19)16-7-9-17(20)10-8-16/h2-3,5-10H,4,11-14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane?
2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane has a molecular weight of 332.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[3-(2-methylphenyl)sulfanylpropyl]-1,3-dioxolane is sourced from PubChem (CID 5003671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).