(3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol

C10H9IO2S — CID 130985890

IUPAC(3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol
SMILESCOc1cc(CO)cc2scc(I)c12
InChIInChI=1S/C10H9IO2S/c1-13-8-2-6(4-12)3-9-10(8)7(11)5-14-9/h2-3,5,12H,4H2,1H3
InChIKeyQNXMDRVGTNTAKX-UHFFFAOYSA-N
MW320.15 g/mol
LogP3.01
Rot. Bonds2

About (3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol

(3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol (PubChem CID 130985890) has the molecular formula C10H9IO2S and a molecular weight of 320.15 g/mol. Its IUPAC name is (3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol
PubChem CID130985890
Molecular FormulaC10H9IO2S
Molecular Weight320.15 g/mol
Exact Mass319.94
IUPAC Name(3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol
SMILESCOc1cc(CO)cc2scc(I)c12
InChIInChI=1S/C10H9IO2S/c1-13-8-2-6(4-12)3-9-10(8)7(11)5-14-9/h2-3,5,12H,4H2,1H3
InChIKeyQNXMDRVGTNTAKX-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-iodo-3-methoxy-6-methyl-1-benzothiophene
CID 130941722
6-iodo-3,4-dimethoxy-1-benzothiophene
CID 131053482
(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol
CID 45371684
5-bromo-3-iodo-6-methoxy-1-benzothiophene
CID 130884034
(4-bromo-3-methyl-1-benzothiophen-6-yl)methanol
CID 130839310
[4-(hydroxymethyl)-2,6-dimethoxyphenyl]boronic acid
CID 54470355
(7-methoxy-1-benzothiophen-5-yl)methanol
CID 130050628
(4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol
CID 45371618
[3-(bromomethyl)-4-chloro-1-benzothiophen-6-yl]methanol
CID 131014350
1-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]propane-1,2,3-triol
CID 170818728
(7-fluoro-3-methoxy-1-benzothiophen-5-yl)methanol
CID 130941198
3-iodo-6-methoxy-1-benzothiophene-4-carbaldehyde
CID 130900333

Frequently Asked Questions

What is the IUPAC name of (3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol?
The IUPAC name of (3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol (CID 130985890) is (3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol is COc1cc(CO)cc2scc(I)c12.
What is the InChIKey of (3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol?
The InChIKey is QNXMDRVGTNTAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO2S/c1-13-8-2-6(4-12)3-9-10(8)7(11)5-14-9/h2-3,5,12H,4H2,1H3.
What are the key properties of (3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol?
(3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol has a molecular weight of 320.15 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodo-4-methoxy-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 130985890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).