[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol

C24H27FOS — CID 22005278

IUPAC[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol
SMILESCC(C)c1cc(C(C)C)c(Cc2cccs2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C24H27FOS/c1-15(2)20-13-21(16(3)4)23(14-26)24(17-7-9-18(25)10-8-17)22(20)12-19-6-5-11-27-19/h5-11,13,15-16,26H,12,14H2,1-4H3
InChIKeyIJYLFPRBMLRKFT-UHFFFAOYSA-N
MW382.54 g/mol
LogP6.88
Rot. Bonds6

About [2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol

[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol (PubChem CID 22005278) has the molecular formula C24H27FOS and a molecular weight of 382.54 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol
PubChem CID22005278
Molecular FormulaC24H27FOS
Molecular Weight382.54 g/mol
Exact Mass382.18
IUPAC Name[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol
SMILESCC(C)c1cc(C(C)C)c(Cc2cccs2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C24H27FOS/c1-15(2)20-13-21(16(3)4)23(14-26)24(17-7-9-18(25)10-8-17)22(20)12-19-6-5-11-27-19/h5-11,13,15-16,26H,12,14H2,1-4H3
InChIKeyIJYLFPRBMLRKFT-UHFFFAOYSA-N
XLogP6.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol (CID 22005278) is [2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol is CC(C)c1cc(C(C)C)c(Cc2cccs2)c(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol?
The InChIKey is IJYLFPRBMLRKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FOS/c1-15(2)20-13-21(16(3)4)23(14-26)24(17-7-9-18(25)10-8-17)22(20)12-19-6-5-11-27-19/h5-11,13,15-16,26H,12,14H2,1-4H3.
What are the key properties of [2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol?
[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol has a molecular weight of 382.54 g/mol, XLogP of 6.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol is sourced from PubChem (CID 22005278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).