2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene

C23H20OS — CID 143129119

IUPAC2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene
SMILESCc1ccc(OCc2ccccc2-c2c(C)sc3ccccc23)cc1
InChIInChI=1S/C23H20OS/c1-16-11-13-19(14-12-16)24-15-18-7-3-4-8-20(18)23-17(2)25-22-10-6-5-9-21(22)23/h3-14H,15H2,1-2H3
InChIKeyBPOSGDOHFODLGL-UHFFFAOYSA-N
MW344.48 g/mol
LogP6.76
Rot. Bonds4

About 2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene

2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene (PubChem CID 143129119) has the molecular formula C23H20OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene.

Molecular Properties

Compound Name2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene
PubChem CID143129119
Molecular FormulaC23H20OS
Molecular Weight344.48 g/mol
Exact Mass344.12
IUPAC Name2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene
SMILESCc1ccc(OCc2ccccc2-c2c(C)sc3ccccc23)cc1
InChIInChI=1S/C23H20OS/c1-16-11-13-19(14-12-16)24-15-18-7-3-4-8-20(18)23-17(2)25-22-10-6-5-9-21(22)23/h3-14H,15H2,1-2H3
InChIKeyBPOSGDOHFODLGL-UHFFFAOYSA-N
XLogP6.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.48
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-2-methyl-1-benzothiophene
CID 147947842
N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline
CID 101009009
2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene
CID 102299533
1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol
CID 63738620
6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine
CID 155778424
N-[[5-methyl-4-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 80728494
2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene
CID 11143270
3-[(4-methylphenoxy)methyl]pyridin-2-amine
CID 62464607
2-[(4-methylphenoxy)methyl]-1-benzothiophene-4-carboxylic acid
CID 117172975
5,5-dimethyl-2-[2-[(4-methylphenoxy)methyl]phenyl]-6,7-dihydro-4H-1-benzothiophene-3-carboxylic acid
CID 130239761
7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117186236
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene?
The IUPAC name of 2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene (CID 143129119) is 2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene.
What is the SMILES notation for 2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene?
The canonical SMILES for 2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene is Cc1ccc(OCc2ccccc2-c2c(C)sc3ccccc23)cc1.
What is the InChIKey of 2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene?
The InChIKey is BPOSGDOHFODLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20OS/c1-16-11-13-19(14-12-16)24-15-18-7-3-4-8-20(18)23-17(2)25-22-10-6-5-9-21(22)23/h3-14H,15H2,1-2H3.
What are the key properties of 2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene?
2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene has a molecular weight of 344.48 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene is sourced from PubChem (CID 143129119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).