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

C14H15FOS — CID 10562638

IUPAC[4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol
SMILESCC(C)c1scc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C14H15FOS/c1-9(2)14-12(7-16)13(8-17-14)10-3-5-11(15)6-4-10/h3-6,8-9,16H,7H2,1-2H3
InChIKeyCVHKOFVSYMTTPJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.17
Rot. Bonds3

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

[4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol (PubChem CID 10562638) has the molecular formula C14H15FOS and a molecular weight of 250.34 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol
PubChem CID10562638
Molecular FormulaC14H15FOS
Molecular Weight250.34 g/mol
Exact Mass250.08
IUPAC Name[4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol
SMILESCC(C)c1scc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C14H15FOS/c1-9(2)14-12(7-16)13(8-17-14)10-3-5-11(15)6-4-10/h3-6,8-9,16H,7H2,1-2H3
InChIKeyCVHKOFVSYMTTPJ-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol (CID 10562638) is [4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol is CC(C)c1scc(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol?
The InChIKey is CVHKOFVSYMTTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FOS/c1-9(2)14-12(7-16)13(8-17-14)10-3-5-11(15)6-4-10/h3-6,8-9,16H,7H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol?
[4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol has a molecular weight of 250.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol is sourced from PubChem (CID 10562638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).