2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene

C14H11ClS — CID 102045962

IUPAC2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene
SMILESClc1ccccc1C1Cc2ccccc2S1
InChIInChI=1S/C14H11ClS/c15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1-8,14H,9H2
InChIKeyXTBFHODBNNETPU-UHFFFAOYSA-N
MW246.76 g/mol
LogP4.73
Rot. Bonds1

About 2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene

2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene (PubChem CID 102045962) has the molecular formula C14H11ClS and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene
PubChem CID102045962
Molecular FormulaC14H11ClS
Molecular Weight246.76 g/mol
Exact Mass246.03
IUPAC Name2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene
SMILESClc1ccccc1C1Cc2ccccc2S1
InChIInChI=1S/C14H11ClS/c15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1-8,14H,9H2
InChIKeyXTBFHODBNNETPU-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene
CID 11149916
2-(2-chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 2728657
(5R)-5-chloro-5,6-dihydrobenzo[b][1]benzothiepine
CID 86310640
4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine
CID 83240330
2-(2-chlorophenyl)-4-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
CID 5054806
3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine
CID 79327324
2-[(2-chlorophenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene
CID 79403845
(2S)-2-(2-chlorophenyl)-4-piperidin-1-yl-2,3-dihydrothiopyran-6-thione
CID 28950638
(2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole
CID 6928885
ethane;5-methyl-5,6-dihydrobenzo[b][1]benzothiepine
CID 90870918
2,3-dimethyl-3,4-dihydro-2H-thiochromene
CID 19855208
5-(2-chlorophenyl)-1-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
CID 15651081

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene?
The IUPAC name of 2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene (CID 102045962) is 2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene is Clc1ccccc1C1Cc2ccccc2S1.
What is the InChIKey of 2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene?
The InChIKey is XTBFHODBNNETPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClS/c15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1-8,14H,9H2.
What are the key properties of 2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene?
2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene has a molecular weight of 246.76 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 102045962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).