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

C16H15ClOS — CID 79403845

IUPAC2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene
SMILESClc1ccccc1COCC1Cc2ccccc2S1
InChIInChI=1S/C16H15ClOS/c17-15-7-3-1-6-13(15)10-18-11-14-9-12-5-2-4-8-16(12)19-14/h1-8,14H,9-11H2
InChIKeyXMPPNGNTHXZCGP-UHFFFAOYSA-N
MW290.81 g/mol
LogP4.57
Rot. Bonds4

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

2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene (PubChem CID 79403845) has the molecular formula C16H15ClOS and a molecular weight of 290.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene
PubChem CID79403845
Molecular FormulaC16H15ClOS
Molecular Weight290.81 g/mol
Exact Mass290.05
IUPAC Name2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene
SMILESClc1ccccc1COCC1Cc2ccccc2S1
InChIInChI=1S/C16H15ClOS/c17-15-7-3-1-6-13(15)10-18-11-14-9-12-5-2-4-8-16(12)19-14/h1-8,14H,9-11H2
InChIKeyXMPPNGNTHXZCGP-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.81
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)ethanamine
CID 79221930
4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenol
CID 79221844
2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene
CID 79403687
2-[[4-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79222684
3,5-dichloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde
CID 79227558
2-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79222007
2-bromo-5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)pyridine
CID 107396746
2-bromo-3-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)aniline
CID 103479061
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine
CID 79222489
3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidine
CID 79460685
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
2-[[(2,6-dichlorophenyl)methoxy-ethoxyphosphoryl]methyl]-2,3-dihydro-1-benzothiophene
CID 88586109

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene?
The IUPAC name of 2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene (CID 79403845) is 2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene is Clc1ccccc1COCC1Cc2ccccc2S1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene?
The InChIKey is XMPPNGNTHXZCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClOS/c17-15-7-3-1-6-13(15)10-18-11-14-9-12-5-2-4-8-16(12)19-14/h1-8,14H,9-11H2.
What are the key properties of 2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene?
2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene has a molecular weight of 290.81 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 79403845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).