1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene

C25H24O2 — CID 173248826

IUPAC1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene
SMILESCCCOc1cc2ccccc2cc1-c1ccc2ccccc2c1OCC
InChIInChI=1S/C25H24O2/c1-3-15-27-24-17-20-11-6-5-10-19(20)16-23(24)22-14-13-18-9-7-8-12-21(18)25(22)26-4-2/h5-14,16-17H,3-4,15H2,1-2H3
InChIKeyRLOHKKGNZJSBOR-UHFFFAOYSA-N
MW356.47 g/mol
LogP6.85
Rot. Bonds6

About 1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene

1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene (PubChem CID 173248826) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene.

Molecular Properties

Compound Name1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene
PubChem CID173248826
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene
SMILESCCCOc1cc2ccccc2cc1-c1ccc2ccccc2c1OCC
InChIInChI=1S/C25H24O2/c1-3-15-27-24-17-20-11-6-5-10-19(20)16-23(24)22-14-13-18-9-7-8-12-21(18)25(22)26-4-2/h5-14,16-17H,3-4,15H2,1-2H3
InChIKeyRLOHKKGNZJSBOR-UHFFFAOYSA-N
XLogP6.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene?
The IUPAC name of 1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene (CID 173248826) is 1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene.
What is the SMILES notation for 1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene?
The canonical SMILES for 1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene is CCCOc1cc2ccccc2cc1-c1ccc2ccccc2c1OCC.
What is the InChIKey of 1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene?
The InChIKey is RLOHKKGNZJSBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2/c1-3-15-27-24-17-20-11-6-5-10-19(20)16-23(24)22-14-13-18-9-7-8-12-21(18)25(22)26-4-2/h5-14,16-17H,3-4,15H2,1-2H3.
What are the key properties of 1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene?
1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene has a molecular weight of 356.47 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(3-propoxynaphthalen-2-yl)naphthalene is sourced from PubChem (CID 173248826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).