2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene

C35H34O2S — CID 58250422

IUPAC2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene
SMILESCc1cccc(C(C)(C)c2cccc(Oc3ccc(Oc4cccc(C(C)(C)c5ccccc5)c4)s3)c2)c1
InChIInChI=1S/C35H34O2S/c1-25-12-9-15-27(22-25)35(4,5)29-17-11-19-31(24-29)37-33-21-20-32(38-33)36-30-18-10-16-28(23-30)34(2,3)26-13-7-6-8-14-26/h6-24H,1-5H3
InChIKeyVHSJCCJYRPDIRH-UHFFFAOYSA-N
MW518.72 g/mol
LogP10.29
Rot. Bonds8

About 2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene

2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene (PubChem CID 58250422) has the molecular formula C35H34O2S and a molecular weight of 518.72 g/mol. Its IUPAC name is 2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene.

Molecular Properties

Compound Name2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene
PubChem CID58250422
Molecular FormulaC35H34O2S
Molecular Weight518.72 g/mol
Exact Mass518.23
IUPAC Name2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene
SMILESCc1cccc(C(C)(C)c2cccc(Oc3ccc(Oc4cccc(C(C)(C)c5ccccc5)c4)s3)c2)c1
InChIInChI=1S/C35H34O2S/c1-25-12-9-15-27(22-25)35(4,5)29-17-11-19-31(24-29)37-33-21-20-32(38-33)36-30-18-10-16-28(23-30)34(2,3)26-13-7-6-8-14-26/h6-24H,1-5H3
InChIKeyVHSJCCJYRPDIRH-UHFFFAOYSA-N
XLogP10.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.72
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene?
The IUPAC name of 2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene (CID 58250422) is 2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene.
What is the SMILES notation for 2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene?
The canonical SMILES for 2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene is Cc1cccc(C(C)(C)c2cccc(Oc3ccc(Oc4cccc(C(C)(C)c5ccccc5)c4)s3)c2)c1.
What is the InChIKey of 2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene?
The InChIKey is VHSJCCJYRPDIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34O2S/c1-25-12-9-15-27(22-25)35(4,5)29-17-11-19-31(24-29)37-33-21-20-32(38-33)36-30-18-10-16-28(23-30)34(2,3)26-13-7-6-8-14-26/h6-24H,1-5H3.
What are the key properties of 2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene?
2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene has a molecular weight of 518.72 g/mol, XLogP of 10.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-methylphenyl)propan-2-yl]phenoxy]-5-[3-(2-phenylpropan-2-yl)phenoxy]thiophene is sourced from PubChem (CID 58250422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).