4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene

C21H19FOS — CID 90305016

IUPAC4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene
SMILESCOc1ccc(CSc2ccc(F)cc2)cc1-c1cccc(C)c1
InChIInChI=1S/C21H19FOS/c1-15-4-3-5-17(12-15)20-13-16(6-11-21(20)23-2)14-24-19-9-7-18(22)8-10-19/h3-13H,14H2,1-2H3
InChIKeyYGUMQVLDSUIFGW-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.10
Rot. Bonds5

About 4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene

4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene (PubChem CID 90305016) has the molecular formula C21H19FOS and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene
PubChem CID90305016
Molecular FormulaC21H19FOS
Molecular Weight338.45 g/mol
Exact Mass338.11
IUPAC Name4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene
SMILESCOc1ccc(CSc2ccc(F)cc2)cc1-c1cccc(C)c1
InChIInChI=1S/C21H19FOS/c1-15-4-3-5-17(12-15)20-13-16(6-11-21(20)23-2)14-24-19-9-7-18(22)8-10-19/h3-13H,14H2,1-2H3
InChIKeyYGUMQVLDSUIFGW-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene?
The IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene (CID 90305016) is 4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene?
The canonical SMILES for 4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene is COc1ccc(CSc2ccc(F)cc2)cc1-c1cccc(C)c1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene?
The InChIKey is YGUMQVLDSUIFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FOS/c1-15-4-3-5-17(12-15)20-13-16(6-11-21(20)23-2)14-24-19-9-7-18(22)8-10-19/h3-13H,14H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene?
4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene has a molecular weight of 338.45 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfanylmethyl]-1-methoxy-2-(3-methylphenyl)benzene is sourced from PubChem (CID 90305016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).