2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol

C16H14O2S — CID 117184783

IUPAC2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol
SMILESCc1cccc2sc(COc3ccccc3O)cc12
InChIInChI=1S/C16H14O2S/c1-11-5-4-8-16-13(11)9-12(19-16)10-18-15-7-3-2-6-14(15)17/h2-9,17H,10H2,1H3
InChIKeyCBLCFXKDUHECCF-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.49
Rot. Bonds3

About 2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol

2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol (PubChem CID 117184783) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol
PubChem CID117184783
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol
SMILESCc1cccc2sc(COc3ccccc3O)cc12
InChIInChI=1S/C16H14O2S/c1-11-5-4-8-16-13(11)9-12(19-16)10-18-15-7-3-2-6-14(15)17/h2-9,17H,10H2,1H3
InChIKeyCBLCFXKDUHECCF-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol
CID 117179784
2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde
CID 117194333
2-[(4-bromo-2-methylphenyl)methoxy]phenol
CID 117219489
2-[(2-bromo-1,3-thiazol-5-yl)methoxy]phenol
CID 117192622
2-[(7-methyl-1H-indol-3-yl)methoxy]phenol
CID 117186217
2-(fluoromethyl)-1-benzothiophen-4-ol
CID 84658438
2-[(4-methylphenoxy)methyl]-1-benzothiophene-4-carboxylic acid
CID 117172975
2-[2-(1-benzothiophen-2-ylmethoxy)phenoxy]ethanol
CID 75452842
2-[(5-methylfuran-2-yl)methoxy]phenol
CID 43143474
2-[(3-hydroxyphenoxy)methyl]-1-benzothiophene-4-carboxylic acid
CID 117172973
4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117184698
3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol
CID 117174722

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol?
The IUPAC name of 2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol (CID 117184783) is 2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol.
What is the SMILES notation for 2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol?
The canonical SMILES for 2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol is Cc1cccc2sc(COc3ccccc3O)cc12.
What is the InChIKey of 2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol?
The InChIKey is CBLCFXKDUHECCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-11-5-4-8-16-13(11)9-12(19-16)10-18-15-7-3-2-6-14(15)17/h2-9,17H,10H2,1H3.
What are the key properties of 2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol?
2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol has a molecular weight of 270.35 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1-benzothiophen-2-yl)methoxy]phenol is sourced from PubChem (CID 117184783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).