2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene

C23H32O2 — CID 150428684

IUPAC2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene
SMILESCCOc1c(CC)cccc1C(C)(C)c1cccc(CC)c1OCC
InChIInChI=1S/C23H32O2/c1-7-17-13-11-15-19(21(17)24-9-3)23(5,6)20-16-12-14-18(8-2)22(20)25-10-4/h11-16H,7-10H2,1-6H3
InChIKeyHJHWSDVURDDPLC-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.93
Rot. Bonds8

About 2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene

2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene (PubChem CID 150428684) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene.

Molecular Properties

Compound Name2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene
PubChem CID150428684
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene
SMILESCCOc1c(CC)cccc1C(C)(C)c1cccc(CC)c1OCC
InChIInChI=1S/C23H32O2/c1-7-17-13-11-15-19(21(17)24-9-3)23(5,6)20-16-12-14-18(8-2)22(20)25-10-4/h11-16H,7-10H2,1-6H3
InChIKeyHJHWSDVURDDPLC-UHFFFAOYSA-N
XLogP5.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene?
The IUPAC name of 2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene (CID 150428684) is 2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene.
What is the SMILES notation for 2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene?
The canonical SMILES for 2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene is CCOc1c(CC)cccc1C(C)(C)c1cccc(CC)c1OCC.
What is the InChIKey of 2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene?
The InChIKey is HJHWSDVURDDPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-7-17-13-11-15-19(21(17)24-9-3)23(5,6)20-16-12-14-18(8-2)22(20)25-10-4/h11-16H,7-10H2,1-6H3.
What are the key properties of 2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene?
2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene has a molecular weight of 340.51 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene is sourced from PubChem (CID 150428684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).