[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol

C18H18O5S — CID 18794388

IUPAC[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol
SMILESCOc1ccc(Oc2c(CO)sc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C18H18O5S/c1-20-11-4-6-12(7-5-11)23-18-13-8-14(21-2)15(22-3)9-16(13)24-17(18)10-19/h4-9,19H,10H2,1-3H3
InChIKeySGQXEYIKJFPLDY-UHFFFAOYSA-N
MW346.40 g/mol
LogP4.21
Rot. Bonds6

About [5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol

[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol (PubChem CID 18794388) has the molecular formula C18H18O5S and a molecular weight of 346.40 g/mol. Its IUPAC name is [5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol
PubChem CID18794388
Molecular FormulaC18H18O5S
Molecular Weight346.40 g/mol
Exact Mass346.09
IUPAC Name[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol
SMILESCOc1ccc(Oc2c(CO)sc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C18H18O5S/c1-20-11-4-6-12(7-5-11)23-18-13-8-14(21-2)15(22-3)9-16(13)24-17(18)10-19/h4-9,19H,10H2,1-3H3
InChIKeySGQXEYIKJFPLDY-UHFFFAOYSA-N
XLogP4.21
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(chloromethyl)-5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophene
CID 18794411
ethyl 2-[N-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methyl]anilino]acetate
CID 70294559
sodium (E)-3-[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]-2-phenylprop-2-enoate
CID 86755305
sodium (E)-3-[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-ylprop-2-enoate
CID 86755304
2-(hydroxymethyl)-3-methoxy-1-benzothiophen-5-ol
CID 130969763
(4-methoxyphenyl)methanol
CID 7738
3-(4-tert-butylphenoxy)-6-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid
CID 69355750
(2,3,7-trimethoxyphenanthren-9-yl)methanol
CID 71486073
[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol
CID 86730671
2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol
CID 131031026
[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol
CID 79403220
5,6-dimethoxy-3-phenylmethoxy-1-benzothiophene-2-carboxylic acid
CID 14673573

Frequently Asked Questions

What is the IUPAC name of [5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol?
The IUPAC name of [5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol (CID 18794388) is [5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol.
What is the SMILES notation for [5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol?
The canonical SMILES for [5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol is COc1ccc(Oc2c(CO)sc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of [5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol?
The InChIKey is SGQXEYIKJFPLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5S/c1-20-11-4-6-12(7-5-11)23-18-13-8-14(21-2)15(22-3)9-16(13)24-17(18)10-19/h4-9,19H,10H2,1-3H3.
What are the key properties of [5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol?
[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol has a molecular weight of 346.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol is sourced from PubChem (CID 18794388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).