2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene

C17H18O2S — CID 79403687

IUPAC2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene
SMILESCOc1cccc(COCC2Cc3ccccc3S2)c1
InChIInChI=1S/C17H18O2S/c1-18-15-7-4-5-13(9-15)11-19-12-16-10-14-6-2-3-8-17(14)20-16/h2-9,16H,10-12H2,1H3
InChIKeyGTHIORZRIOVPEW-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.93
Rot. Bonds5

About 2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene

2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene (PubChem CID 79403687) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene
PubChem CID79403687
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene
SMILESCOc1cccc(COCC2Cc3ccccc3S2)c1
InChIInChI=1S/C17H18O2S/c1-18-15-7-4-5-13(9-15)11-19-12-16-10-14-6-2-3-8-17(14)20-16/h2-9,16H,10-12H2,1H3
InChIKeyGTHIORZRIOVPEW-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]methanamine
CID 79212641
(1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81354541
1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene
CID 141398507
2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene
CID 79403845
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine
CID 79222489
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methoxy-N-methylaniline
CID 79315602
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-[[4-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79222684
2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79228154
2-[(4-chloro-2,6-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403994
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene?
The IUPAC name of 2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene (CID 79403687) is 2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene is COc1cccc(COCC2Cc3ccccc3S2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene?
The InChIKey is GTHIORZRIOVPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-18-15-7-4-5-13(9-15)11-19-12-16-10-14-6-2-3-8-17(14)20-16/h2-9,16H,10-12H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene?
2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene has a molecular weight of 286.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 79403687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).