4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene

C24H27FOS — CID 21269941

IUPAC4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene
SMILESCCc1csc(C(C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)c1
InChIInChI=1S/C24H27FOS/c1-4-18-16-23(27-17-18)24(2,3)14-8-9-19-12-13-21(25)22(15-19)26-20-10-6-5-7-11-20/h5-7,10-13,15-17H,4,8-9,14H2,1-3H3
InChIKeyHSHPFAXNWHJNPD-UHFFFAOYSA-N
MW382.54 g/mol
LogP7.54
Rot. Bonds8

About 4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene

4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene (PubChem CID 21269941) has the molecular formula C24H27FOS and a molecular weight of 382.54 g/mol. Its IUPAC name is 4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene.

Molecular Properties

Compound Name4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene
PubChem CID21269941
Molecular FormulaC24H27FOS
Molecular Weight382.54 g/mol
Exact Mass382.18
IUPAC Name4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene
SMILESCCc1csc(C(C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)c1
InChIInChI=1S/C24H27FOS/c1-4-18-16-23(27-17-18)24(2,3)14-8-9-19-12-13-21(25)22(15-19)26-20-10-6-5-7-11-20/h5-7,10-13,15-17H,4,8-9,14H2,1-3H3
InChIKeyHSHPFAXNWHJNPD-UHFFFAOYSA-N
XLogP7.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene?
The IUPAC name of 4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene (CID 21269941) is 4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene.
What is the SMILES notation for 4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene?
The canonical SMILES for 4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene is CCc1csc(C(C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)c1.
What is the InChIKey of 4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene?
The InChIKey is HSHPFAXNWHJNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FOS/c1-4-18-16-23(27-17-18)24(2,3)14-8-9-19-12-13-21(25)22(15-19)26-20-10-6-5-7-11-20/h5-7,10-13,15-17H,4,8-9,14H2,1-3H3.
What are the key properties of 4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene?
4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene has a molecular weight of 382.54 g/mol, XLogP of 7.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]thiophene is sourced from PubChem (CID 21269941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).