1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone

C20H18O2S — CID 146005163

IUPAC1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone
SMILESCc1cc(OCc2ccccc2)ccc1C(=O)Cc1cccs1
InChIInChI=1S/C20H18O2S/c1-15-12-17(22-14-16-6-3-2-4-7-16)9-10-19(15)20(21)13-18-8-5-11-23-18/h2-12H,13-14H2,1H3
InChIKeyAIHDBQVTAUMHPQ-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.06
Rot. Bonds6

About 1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone

1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone (PubChem CID 146005163) has the molecular formula C20H18O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone
PubChem CID146005163
Molecular FormulaC20H18O2S
Molecular Weight322.43 g/mol
Exact Mass322.10
IUPAC Name1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone
SMILESCc1cc(OCc2ccccc2)ccc1C(=O)Cc1cccs1
InChIInChI=1S/C20H18O2S/c1-15-12-17(22-14-16-6-3-2-4-7-16)9-10-19(15)20(21)13-18-8-5-11-23-18/h2-12H,13-14H2,1H3
InChIKeyAIHDBQVTAUMHPQ-UHFFFAOYSA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
CID 146005137
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanone
CID 82553608
2,2,3,3,4,4,4-heptafluoro-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
CID 146005146
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
ethane;4-phenylmethoxyphthalic acid
CID 90802135
2-[(4-phenylmethoxyphenyl)methyl]thiophene
CID 101069381
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate
CID 7799166
1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone
CID 131207475

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone (CID 146005163) is 1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone is Cc1cc(OCc2ccccc2)ccc1C(=O)Cc1cccs1.
What is the InChIKey of 1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone?
The InChIKey is AIHDBQVTAUMHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2S/c1-15-12-17(22-14-16-6-3-2-4-7-16)9-10-19(15)20(21)13-18-8-5-11-23-18/h2-12H,13-14H2,1H3.
What are the key properties of 1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone?
1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone has a molecular weight of 322.43 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 146005163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).