2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene

C29H24O4S — CID 70098532

IUPAC2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene
SMILESCOc1ccc(-c2c(OCc3ccccc3)ccc(OC)c2Oc2cc3ccccc3s2)cc1
InChIInChI=1S/C29H24O4S/c1-30-23-14-12-21(13-15-23)28-24(32-19-20-8-4-3-5-9-20)16-17-25(31-2)29(28)33-27-18-22-10-6-7-11-26(22)34-27/h3-18H,19H2,1-2H3
InChIKeyOFKZVTYRWQGSJV-UHFFFAOYSA-N
MW468.57 g/mol
LogP7.96
Rot. Bonds8

About 2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene

2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene (PubChem CID 70098532) has the molecular formula C29H24O4S and a molecular weight of 468.57 g/mol. Its IUPAC name is 2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene.

Molecular Properties

Compound Name2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene
PubChem CID70098532
Molecular FormulaC29H24O4S
Molecular Weight468.57 g/mol
Exact Mass468.14
IUPAC Name2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene
SMILESCOc1ccc(-c2c(OCc3ccccc3)ccc(OC)c2Oc2cc3ccccc3s2)cc1
InChIInChI=1S/C29H24O4S/c1-30-23-14-12-21(13-15-23)28-24(32-19-20-8-4-3-5-9-20)16-17-25(31-2)29(28)33-27-18-22-10-6-7-11-26(22)34-27/h3-18H,19H2,1-2H3
InChIKeyOFKZVTYRWQGSJV-UHFFFAOYSA-N
XLogP7.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.57
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-2,6-dimethyl-4-phenylmethoxypyridine
CID 15171436
2-methoxy-6-phenylmethoxy-1-benzothiophene
CID 174512240
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004
5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol
CID 23538718
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894
2-[(3-methylphenyl)methoxy]-1-phenylnaphthalene
CID 132584959
6-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-1-benzofuran
CID 57332865
2-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-(4-phenylmethoxyphenyl)thiophene
CID 139067170
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
6,7-dimethoxy-2-methyl-1-phenyl-4-phenylmethoxynaphthalene
CID 170010936

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene?
The IUPAC name of 2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene (CID 70098532) is 2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene.
What is the SMILES notation for 2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene?
The canonical SMILES for 2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene is COc1ccc(-c2c(OCc3ccccc3)ccc(OC)c2Oc2cc3ccccc3s2)cc1.
What is the InChIKey of 2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene?
The InChIKey is OFKZVTYRWQGSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O4S/c1-30-23-14-12-21(13-15-23)28-24(32-19-20-8-4-3-5-9-20)16-17-25(31-2)29(28)33-27-18-22-10-6-7-11-26(22)34-27/h3-18H,19H2,1-2H3.
What are the key properties of 2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene?
2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene has a molecular weight of 468.57 g/mol, XLogP of 7.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-(4-methoxyphenyl)-3-phenylmethoxyphenoxy]-1-benzothiophene is sourced from PubChem (CID 70098532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).