3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene

C20H20OS — CID 18718071

IUPAC3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene
SMILESCc1cc(OCc2ccccc2)c(-c2ccsc2)c(C)c1C
InChIInChI=1S/C20H20OS/c1-14-11-19(21-12-17-7-5-4-6-8-17)20(16(3)15(14)2)18-9-10-22-13-18/h4-11,13H,12H2,1-3H3
InChIKeyRTLALAOYBPGEBQ-UHFFFAOYSA-N
MW308.45 g/mol
LogP5.92
Rot. Bonds4

About 3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene

3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene (PubChem CID 18718071) has the molecular formula C20H20OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene.

Molecular Properties

Compound Name3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene
PubChem CID18718071
Molecular FormulaC20H20OS
Molecular Weight308.45 g/mol
Exact Mass308.12
IUPAC Name3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene
SMILESCc1cc(OCc2ccccc2)c(-c2ccsc2)c(C)c1C
InChIInChI=1S/C20H20OS/c1-14-11-19(21-12-17-7-5-4-6-8-17)20(16(3)15(14)2)18-9-10-22-13-18/h4-11,13H,12H2,1-3H3
InChIKeyRTLALAOYBPGEBQ-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.45
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-phenyl-4-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene;propane
CID 91241217
1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene
CID 175309090
4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde
CID 172650288
lithium;ethane;methane;oxopalladium;propane;propanoic acid;tris(3-[2-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophen-3-yl]pyridine);hydroxide
CID 159837916
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
(2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride
CID 172650511
1-methyl-2-phenyl-3-phenylmethoxybenzene
CID 170694613
6,7-dimethoxy-2-methyl-1-phenyl-4-phenylmethoxynaphthalene
CID 170010936
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,7-dimethoxy-2,3-dimethyl-6-phenylmethoxynaphthalene
CID 71601620
3,4-dimethyl-5-phenylmethoxypyridine
CID 70023630
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene?
The IUPAC name of 3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene (CID 18718071) is 3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene.
What is the SMILES notation for 3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene?
The canonical SMILES for 3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene is Cc1cc(OCc2ccccc2)c(-c2ccsc2)c(C)c1C.
What is the InChIKey of 3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene?
The InChIKey is RTLALAOYBPGEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20OS/c1-14-11-19(21-12-17-7-5-4-6-8-17)20(16(3)15(14)2)18-9-10-22-13-18/h4-11,13H,12H2,1-3H3.
What are the key properties of 3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene?
3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene has a molecular weight of 308.45 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene is sourced from PubChem (CID 18718071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).