[5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol

C20H18ClFOS — CID 11121971

IUPAC[5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol
SMILESCC(C)c1sc(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C20H18ClFOS/c1-12(2)19-17(11-23)18(13-5-9-16(22)10-6-13)20(24-19)14-3-7-15(21)8-4-14/h3-10,12,23H,11H2,1-2H3
InChIKeyPJXQTASHYXZWKV-UHFFFAOYSA-N
MW360.88 g/mol
LogP6.49
Rot. Bonds4

About [5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol

[5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol (PubChem CID 11121971) has the molecular formula C20H18ClFOS and a molecular weight of 360.88 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol
PubChem CID11121971
Molecular FormulaC20H18ClFOS
Molecular Weight360.88 g/mol
Exact Mass360.08
IUPAC Name[5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol
SMILESCC(C)c1sc(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C20H18ClFOS/c1-12(2)19-17(11-23)18(13-5-9-16(22)10-6-13)20(24-19)14-3-7-15(21)8-4-14/h3-10,12,23H,11H2,1-2H3
InChIKeyPJXQTASHYXZWKV-UHFFFAOYSA-N
XLogP6.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.88
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol?
The IUPAC name of [5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol (CID 11121971) is [5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol.
What is the SMILES notation for [5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol?
The canonical SMILES for [5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol is CC(C)c1sc(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol?
The InChIKey is PJXQTASHYXZWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFOS/c1-12(2)19-17(11-23)18(13-5-9-16(22)10-6-13)20(24-19)14-3-7-15(21)8-4-14/h3-10,12,23H,11H2,1-2H3.
What are the key properties of [5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol?
[5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol has a molecular weight of 360.88 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol is sourced from PubChem (CID 11121971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).