4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene

C24H28O2S — CID 70456571

IUPAC4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene
SMILESCCc1csc(C(C)(CC)COCc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C24H28O2S/c1-4-19-15-23(27-17-19)24(3,5-2)18-25-16-20-10-9-13-22(14-20)26-21-11-7-6-8-12-21/h6-15,17H,4-5,16,18H2,1-3H3
InChIKeyAPFVWHLLIIEPHJ-UHFFFAOYSA-N
MW380.55 g/mol
LogP6.99
Rot. Bonds9

About 4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene

4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene (PubChem CID 70456571) has the molecular formula C24H28O2S and a molecular weight of 380.55 g/mol. Its IUPAC name is 4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene.

Molecular Properties

Compound Name4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene
PubChem CID70456571
Molecular FormulaC24H28O2S
Molecular Weight380.55 g/mol
Exact Mass380.18
IUPAC Name4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene
SMILESCCc1csc(C(C)(CC)COCc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C24H28O2S/c1-4-19-15-23(27-17-19)24(3,5-2)18-25-16-20-10-9-13-22(14-20)26-21-11-7-6-8-12-21/h6-15,17H,4-5,16,18H2,1-3H3
InChIKeyAPFVWHLLIIEPHJ-UHFFFAOYSA-N
XLogP6.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.55
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 21269738
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CID 3067110
1-[4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]phenyl]ethanone
CID 3067165
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene
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1-[1,1-difluoro-2-methyl-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethoxy)benzene
CID 19828146
2-chloro-1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 3067183
1-[(Z)-but-2-en-2-yl]-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 20840945
2-bromo-1-methoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 139636498
2-[4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]phenoxy]acetic acid
CID 19972046
1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene
CID 67395522
2-butan-2-yloxy-1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene?
The IUPAC name of 4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene (CID 70456571) is 4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene.
What is the SMILES notation for 4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene?
The canonical SMILES for 4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene is CCc1csc(C(C)(CC)COCc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene?
The InChIKey is APFVWHLLIIEPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2S/c1-4-19-15-23(27-17-19)24(3,5-2)18-25-16-20-10-9-13-22(14-20)26-21-11-7-6-8-12-21/h6-15,17H,4-5,16,18H2,1-3H3.
What are the key properties of 4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene?
4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene has a molecular weight of 380.55 g/mol, XLogP of 6.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene is sourced from PubChem (CID 70456571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).