3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene

C30H34O6S2 — CID 146605301

IUPAC3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene
SMILESCCOCOc1cscc1-c1ccccc1OCCCCOc1ccccc1-c1cscc1OCOCC
InChIInChI=1S/C30H34O6S2/c1-3-31-21-35-29-19-37-17-25(29)23-11-5-7-13-27(23)33-15-9-10-16-34-28-14-8-6-12-24(28)26-18-38-20-30(26)36-22-32-4-2/h5-8,11-14,17-20H,3-4,9-10,15-16,21-22H2,1-2H3
InChIKeyOGEPRZRLBLDFLR-UHFFFAOYSA-N
MW554.73 g/mol
LogP8.13
Rot. Bonds17

About 3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene

3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene (PubChem CID 146605301) has the molecular formula C30H34O6S2 and a molecular weight of 554.73 g/mol. Its IUPAC name is 3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene.

Molecular Properties

Compound Name3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene
PubChem CID146605301
Molecular FormulaC30H34O6S2
Molecular Weight554.73 g/mol
Exact Mass554.18
IUPAC Name3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene
SMILESCCOCOc1cscc1-c1ccccc1OCCCCOc1ccccc1-c1cscc1OCOCC
InChIInChI=1S/C30H34O6S2/c1-3-31-21-35-29-19-37-17-25(29)23-11-5-7-13-27(23)33-15-9-10-16-34-28-14-8-6-12-24(28)26-18-38-20-30(26)36-22-32-4-2/h5-8,11-14,17-20H,3-4,9-10,15-16,21-22H2,1-2H3
InChIKeyOGEPRZRLBLDFLR-UHFFFAOYSA-N
XLogP8.13
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.73
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(ethoxymethoxy)-4-phenylthiophene
CID 172627115
2-bromo-3-(ethoxymethoxy)-4-(2-methoxyphenyl)thiophene;3-(ethoxymethoxy)-4-(2-methoxyphenyl)thiophene
CID 158842081
3-phenyl-4-propoxythiophene
CID 57117902
9-[5-[2-[3-[2-[4-carbazol-9-yl-3-(ethoxymethoxy)thiophen-2-yl]phenoxy]propoxy]phenyl]-4-ethoxythiophen-3-yl]carbazole
CID 153493774
trimethyl-[2-[[2-[2-(2-trimethylsilylethoxymethoxy)phenyl]phenoxy]methoxy]ethyl]silane
CID 101047585
11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
1-octadecoxy-2-phenylbenzene
CID 70983974
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
3,4-dihexoxythiophene;ethene
CID 175595567
2-ethenyl-1-ethoxy-3-(2-ethoxyphenyl)benzene
CID 69455028

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene?
The IUPAC name of 3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene (CID 146605301) is 3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene.
What is the SMILES notation for 3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene?
The canonical SMILES for 3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene is CCOCOc1cscc1-c1ccccc1OCCCCOc1ccccc1-c1cscc1OCOCC.
What is the InChIKey of 3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene?
The InChIKey is OGEPRZRLBLDFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O6S2/c1-3-31-21-35-29-19-37-17-25(29)23-11-5-7-13-27(23)33-15-9-10-16-34-28-14-8-6-12-24(28)26-18-38-20-30(26)36-22-32-4-2/h5-8,11-14,17-20H,3-4,9-10,15-16,21-22H2,1-2H3.
What are the key properties of 3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene?
3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene has a molecular weight of 554.73 g/mol, XLogP of 8.13, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethoxy)-4-[2-[4-[2-[4-(ethoxymethoxy)thiophen-3-yl]phenoxy]butoxy]phenyl]thiophene is sourced from PubChem (CID 146605301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).