4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene

C24H28OS — CID 21269738

IUPAC4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene
SMILESCCC(C)(CCCc1cccc(Oc2ccccc2)c1)c1cc(C)cs1
InChIInChI=1S/C24H28OS/c1-4-24(3,23-16-19(2)18-26-23)15-9-11-20-10-8-14-22(17-20)25-21-12-6-5-7-13-21/h5-8,10,12-14,16-18H,4,9,11,15H2,1-3H3
InChIKeyLWSLVSZSWYDFRW-UHFFFAOYSA-N
MW364.55 g/mol
LogP7.54
Rot. Bonds8

About 4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene

4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene (PubChem CID 21269738) has the molecular formula C24H28OS and a molecular weight of 364.55 g/mol. Its IUPAC name is 4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene.

Molecular Properties

Compound Name4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene
PubChem CID21269738
Molecular FormulaC24H28OS
Molecular Weight364.55 g/mol
Exact Mass364.19
IUPAC Name4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene
SMILESCCC(C)(CCCc1cccc(Oc2ccccc2)c1)c1cc(C)cs1
InChIInChI=1S/C24H28OS/c1-4-24(3,23-16-19(2)18-26-23)15-9-11-20-10-8-14-22(17-20)25-21-12-6-5-7-13-21/h5-8,10,12-14,16-18H,4,9,11,15H2,1-3H3
InChIKeyLWSLVSZSWYDFRW-UHFFFAOYSA-N
XLogP7.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.55
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-[3-methyl-6-[3-(4-methylphenoxy)phenyl]hexan-3-yl]benzene
CID 21269895
4-ethyl-2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]thiophene
CID 70456571
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
4,4-dimethyl-7-(3-phenoxyphenyl)hept-2-enal
CID 139608609
1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269950
1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269797
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
1-butan-2-yloxy-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269835
1-chloro-3-[3-[4-[4-(difluoromethoxy)phenyl]-4-methylhexyl]phenoxy]benzene
CID 21269645
1-(3-iodopropyl)-3-(4-phenoxyphenoxy)benzene
CID 25223171
1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene
CID 21269746

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene?
The IUPAC name of 4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene (CID 21269738) is 4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene.
What is the SMILES notation for 4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene?
The canonical SMILES for 4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene is CCC(C)(CCCc1cccc(Oc2ccccc2)c1)c1cc(C)cs1.
What is the InChIKey of 4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene?
The InChIKey is LWSLVSZSWYDFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28OS/c1-4-24(3,23-16-19(2)18-26-23)15-9-11-20-10-8-14-22(17-20)25-21-12-6-5-7-13-21/h5-8,10,12-14,16-18H,4,9,11,15H2,1-3H3.
What are the key properties of 4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene?
4-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene has a molecular weight of 364.55 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-methyl-2-[3-methyl-6-(3-phenoxyphenyl)hexan-3-yl]thiophene is sourced from PubChem (CID 21269738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).