7-chloro-2,3-dihydro-1-benzothiophen-3-ol

C8H7ClOS — CID 13162405

IUPAC7-chloro-2,3-dihydro-1-benzothiophen-3-ol
SMILESOC1CSc2c(Cl)cccc21
InChIInChI=1S/C8H7ClOS/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-3,7,10H,4H2
InChIKeySKPKXJLISPWXHT-UHFFFAOYSA-N
MW186.66 g/mol
LogP2.48
Rot. Bonds

About 7-chloro-2,3-dihydro-1-benzothiophen-3-ol

7-chloro-2,3-dihydro-1-benzothiophen-3-ol (PubChem CID 13162405) has the molecular formula C8H7ClOS and a molecular weight of 186.66 g/mol. Its IUPAC name is 7-chloro-2,3-dihydro-1-benzothiophen-3-ol.

Molecular Properties

Compound Name7-chloro-2,3-dihydro-1-benzothiophen-3-ol
PubChem CID13162405
Molecular FormulaC8H7ClOS
Molecular Weight186.66 g/mol
Exact Mass185.99
IUPAC Name7-chloro-2,3-dihydro-1-benzothiophen-3-ol
SMILESOC1CSc2c(Cl)cccc21
InChIInChI=1S/C8H7ClOS/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-3,7,10H,4H2
InChIKeySKPKXJLISPWXHT-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol
CID 82886568
1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 83909904
4-chloro-11-propan-2-yl-6,11-dihydrobenzo[c][1]benzothiepine
CID 70369546
8-chloro-3,4-dihydro-2H-thiochromene-4-carboxylic acid
CID 82391144
9-chloro-2,3,4,5-tetrahydro-1-benzothiepine-5-carboxylic acid
CID 82386686
2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine
CID 83912697
9-chloro-N-cyclopropyl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43538862
9-chloro-2,3,4,5-tetrahydro-1,4-benzothiazepine-5-carbaldehyde
CID 175047550
(4R)-7,8-dichloro-3,4-dihydro-1H-isothiochromen-4-ol
CID 107311182
8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115704783
3-(aminomethyl)-4-chloro-2,3-dihydro-1H-inden-1-ol
CID 82125901
8-chloro-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol
CID 105356551

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dihydro-1-benzothiophen-3-ol?
The IUPAC name of 7-chloro-2,3-dihydro-1-benzothiophen-3-ol (CID 13162405) is 7-chloro-2,3-dihydro-1-benzothiophen-3-ol.
What is the SMILES notation for 7-chloro-2,3-dihydro-1-benzothiophen-3-ol?
The canonical SMILES for 7-chloro-2,3-dihydro-1-benzothiophen-3-ol is OC1CSc2c(Cl)cccc21.
What is the InChIKey of 7-chloro-2,3-dihydro-1-benzothiophen-3-ol?
The InChIKey is SKPKXJLISPWXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClOS/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-3,7,10H,4H2.
What are the key properties of 7-chloro-2,3-dihydro-1-benzothiophen-3-ol?
7-chloro-2,3-dihydro-1-benzothiophen-3-ol has a molecular weight of 186.66 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydro-1-benzothiophen-3-ol is sourced from PubChem (CID 13162405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).