2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene

C24H22O — CID 12025675

IUPAC2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene
SMILESCC(OC(C)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H22O/c1-17(21-13-11-19-7-3-5-9-23(19)15-21)25-18(2)22-14-12-20-8-4-6-10-24(20)16-22/h3-18H,1-2H3
InChIKeySYXWJAKZXIUDHE-UHFFFAOYSA-N
MW326.44 g/mol
LogP6.83
Rot. Bonds4

About 2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene

2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene (PubChem CID 12025675) has the molecular formula C24H22O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene.

Molecular Properties

Compound Name2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene
PubChem CID12025675
Molecular FormulaC24H22O
Molecular Weight326.44 g/mol
Exact Mass326.17
IUPAC Name2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene
SMILESCC(OC(C)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H22O/c1-17(21-13-11-19-7-3-5-9-23(19)15-21)25-18(2)22-14-12-20-8-4-6-10-24(20)16-22/h3-18H,1-2H3
InChIKeySYXWJAKZXIUDHE-UHFFFAOYSA-N
XLogP6.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene?
The IUPAC name of 2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene (CID 12025675) is 2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene.
What is the SMILES notation for 2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene?
The canonical SMILES for 2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene is CC(OC(C)c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene?
The InChIKey is SYXWJAKZXIUDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O/c1-17(21-13-11-19-7-3-5-9-23(19)15-21)25-18(2)22-14-12-20-8-4-6-10-24(20)16-22/h3-18H,1-2H3.
What are the key properties of 2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene?
2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene has a molecular weight of 326.44 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-naphthalen-2-ylethoxy)ethyl]naphthalene is sourced from PubChem (CID 12025675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).