(6-chloro-3-methyl-1-benzothiophen-4-yl)methanol

C10H9ClOS — CID 130884325

IUPAC(6-chloro-3-methyl-1-benzothiophen-4-yl)methanol
SMILESCc1csc2cc(Cl)cc(CO)c12
InChIInChI=1S/C10H9ClOS/c1-6-5-13-9-3-8(11)2-7(4-12)10(6)9/h2-3,5,12H,4H2,1H3
InChIKeyBBKADNJMTGZYHV-UHFFFAOYSA-N
MW212.70 g/mol
LogP3.36
Rot. Bonds1

About (6-chloro-3-methyl-1-benzothiophen-4-yl)methanol

(6-chloro-3-methyl-1-benzothiophen-4-yl)methanol (PubChem CID 130884325) has the molecular formula C10H9ClOS and a molecular weight of 212.70 g/mol. Its IUPAC name is (6-chloro-3-methyl-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(6-chloro-3-methyl-1-benzothiophen-4-yl)methanol
PubChem CID130884325
Molecular FormulaC10H9ClOS
Molecular Weight212.70 g/mol
Exact Mass212.01
IUPAC Name(6-chloro-3-methyl-1-benzothiophen-4-yl)methanol
SMILESCc1csc2cc(Cl)cc(CO)c12
InChIInChI=1S/C10H9ClOS/c1-6-5-13-9-3-8(11)2-7(4-12)10(6)9/h2-3,5,12H,4H2,1H3
InChIKeyBBKADNJMTGZYHV-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-methyl-1-benzothiophen-4-yl)methanol?
The IUPAC name of (6-chloro-3-methyl-1-benzothiophen-4-yl)methanol (CID 130884325) is (6-chloro-3-methyl-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (6-chloro-3-methyl-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (6-chloro-3-methyl-1-benzothiophen-4-yl)methanol is Cc1csc2cc(Cl)cc(CO)c12.
What is the InChIKey of (6-chloro-3-methyl-1-benzothiophen-4-yl)methanol?
The InChIKey is BBKADNJMTGZYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClOS/c1-6-5-13-9-3-8(11)2-7(4-12)10(6)9/h2-3,5,12H,4H2,1H3.
What are the key properties of (6-chloro-3-methyl-1-benzothiophen-4-yl)methanol?
(6-chloro-3-methyl-1-benzothiophen-4-yl)methanol has a molecular weight of 212.70 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-methyl-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 130884325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).