1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol

C17H16O3S — CID 81131841

IUPAC1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cccc3ccsc23)cc1OC
InChIInChI=1S/C17H16O3S/c1-19-14-7-6-12(10-15(14)20-2)16(18)13-5-3-4-11-8-9-21-17(11)13/h3-10,16,18H,1-2H3
InChIKeyFJBCZSZUIOVGOL-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.00
Rot. Bonds4

About 1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol

1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol (PubChem CID 81131841) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol
PubChem CID81131841
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Name1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cccc3ccsc23)cc1OC
InChIInChI=1S/C17H16O3S/c1-19-14-7-6-12(10-15(14)20-2)16(18)13-5-3-4-11-8-9-21-17(11)13/h3-10,16,18H,1-2H3
InChIKeyFJBCZSZUIOVGOL-UHFFFAOYSA-N
XLogP4.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 104817073
1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol
CID 81141860
1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol
CID 115827311
1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105021772
1-benzothiophen-7-yl-(3-propoxyphenyl)methanol
CID 81131839
(3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 91678392
1-benzothiophen-7-yl-(5-bromothiophen-3-yl)methanol
CID 105119099
1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 105021845
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
1-benzothiophen-7-yl-(3-bromo-5-fluorophenyl)methanol
CID 81154206
1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine
CID 105021986
(3-fluoro-4-methoxyphenyl)-naphthalen-1-ylmethanol
CID 61080907

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol?
The IUPAC name of 1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol (CID 81131841) is 1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol is COc1ccc(C(O)c2cccc3ccsc23)cc1OC.
What is the InChIKey of 1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol?
The InChIKey is FJBCZSZUIOVGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3S/c1-19-14-7-6-12(10-15(14)20-2)16(18)13-5-3-4-11-8-9-21-17(11)13/h3-10,16,18H,1-2H3.
What are the key properties of 1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol?
1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol has a molecular weight of 300.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 81131841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).