2-methoxy-6-phenylmethoxy-1-benzothiophene

C16H14O2S — CID 174512240

IUPAC2-methoxy-6-phenylmethoxy-1-benzothiophene
SMILESCOc1cc2ccc(OCc3ccccc3)cc2s1
InChIInChI=1S/C16H14O2S/c1-17-16-9-13-7-8-14(10-15(13)19-16)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyOLQXJHQZKAXBTI-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.49
Rot. Bonds4

About 2-methoxy-6-phenylmethoxy-1-benzothiophene

2-methoxy-6-phenylmethoxy-1-benzothiophene (PubChem CID 174512240) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-methoxy-6-phenylmethoxy-1-benzothiophene.

Molecular Properties

Compound Name2-methoxy-6-phenylmethoxy-1-benzothiophene
PubChem CID174512240
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name2-methoxy-6-phenylmethoxy-1-benzothiophene
SMILESCOc1cc2ccc(OCc3ccccc3)cc2s1
InChIInChI=1S/C16H14O2S/c1-17-16-9-13-7-8-14(10-15(13)19-16)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyOLQXJHQZKAXBTI-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde
CID 118578588
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide
CID 24859715
2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine
CID 57244323
N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
CID 82549612
CID 123516675
CID 123516675
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
2-bromo-6-phenylmethoxynaphthalene
CID 640595
7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894
N-[(4-methoxyphenyl)methyl]-6-phenylmethoxynaphthalen-2-amine
CID 25139545
2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene
CID 70098532

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-phenylmethoxy-1-benzothiophene?
The IUPAC name of 2-methoxy-6-phenylmethoxy-1-benzothiophene (CID 174512240) is 2-methoxy-6-phenylmethoxy-1-benzothiophene.
What is the SMILES notation for 2-methoxy-6-phenylmethoxy-1-benzothiophene?
The canonical SMILES for 2-methoxy-6-phenylmethoxy-1-benzothiophene is COc1cc2ccc(OCc3ccccc3)cc2s1.
What is the InChIKey of 2-methoxy-6-phenylmethoxy-1-benzothiophene?
The InChIKey is OLQXJHQZKAXBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-17-16-9-13-7-8-14(10-15(13)19-16)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 2-methoxy-6-phenylmethoxy-1-benzothiophene?
2-methoxy-6-phenylmethoxy-1-benzothiophene has a molecular weight of 270.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-phenylmethoxy-1-benzothiophene is sourced from PubChem (CID 174512240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).