1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene

C20H20 — CID 91351407

IUPAC1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene
SMILESC1=CC(C2CCc3ccccc3C2)c2ccccc2C1
InChIInChI=1S/C20H20/c1-2-8-17-14-18(13-12-15(17)6-1)20-11-5-9-16-7-3-4-10-19(16)20/h1-8,10-11,18,20H,9,12-14H2
InChIKeyZIKJKKSKWUOEDP-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.69
Rot. Bonds1

About 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene

1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene (PubChem CID 91351407) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene
PubChem CID91351407
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene
SMILESC1=CC(C2CCc3ccccc3C2)c2ccccc2C1
InChIInChI=1S/C20H20/c1-2-8-17-14-18(13-12-15(17)6-1)20-11-5-9-16-7-3-4-10-19(16)20/h1-8,10-11,18,20H,9,12-14H2
InChIKeyZIKJKKSKWUOEDP-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene (CID 91351407) is 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene is C1=CC(C2CCc3ccccc3C2)c2ccccc2C1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene?
The InChIKey is ZIKJKKSKWUOEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-2-8-17-14-18(13-12-15(17)6-1)20-11-5-9-16-7-3-4-10-19(16)20/h1-8,10-11,18,20H,9,12-14H2.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene?
1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene has a molecular weight of 260.38 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-dihydronaphthalene is sourced from PubChem (CID 91351407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).