1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol

C16H16ClFOS — CID 114854761

IUPAC1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
SMILESCc1cccc(SCC(O)Cc2ccc(Cl)cc2F)c1
InChIInChI=1S/C16H16ClFOS/c1-11-3-2-4-15(7-11)20-10-14(19)8-12-5-6-13(17)9-16(12)18/h2-7,9,14,19H,8,10H2,1H3
InChIKeyOPNWYNPUXQLXBI-UHFFFAOYSA-N
MW310.82 g/mol
LogP4.48
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol

1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol (PubChem CID 114854761) has the molecular formula C16H16ClFOS and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
PubChem CID114854761
Molecular FormulaC16H16ClFOS
Molecular Weight310.82 g/mol
Exact Mass310.06
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
SMILESCc1cccc(SCC(O)Cc2ccc(Cl)cc2F)c1
InChIInChI=1S/C16H16ClFOS/c1-11-3-2-4-15(7-11)20-10-14(19)8-12-5-6-13(17)9-16(12)18/h2-7,9,14,19H,8,10H2,1H3
InChIKeyOPNWYNPUXQLXBI-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol (CID 114854761) is 1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol is Cc1cccc(SCC(O)Cc2ccc(Cl)cc2F)c1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is OPNWYNPUXQLXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFOS/c1-11-3-2-4-15(7-11)20-10-14(19)8-12-5-6-13(17)9-16(12)18/h2-7,9,14,19H,8,10H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol?
1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 310.82 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 114854761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).