1,2-dihydronaphthalene

C20H20 — CID 161389674

IUPAC1,2-dihydronaphthalene
SMILESC1=Cc2ccccc2CC1.C1=Cc2ccccc2CC1
InChIInChI=1S/2C10H10/c2*1-2-6-10-8-4-3-7-9(10)5-1/h2*1-3,5-7H,4,8H2
InChIKeyVSUYGKPNEQTUNM-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.29
Rot. Bonds

About 1,2-dihydronaphthalene

1,2-dihydronaphthalene (PubChem CID 161389674) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,2-dihydronaphthalene.

Molecular Properties

Compound Name1,2-dihydronaphthalene
PubChem CID161389674
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1,2-dihydronaphthalene
SMILESC1=Cc2ccccc2CC1.C1=Cc2ccccc2CC1
InChIInChI=1S/2C10H10/c2*1-2-6-10-8-4-3-7-9(10)5-1/h2*1-3,5-7H,4,8H2
InChIKeyVSUYGKPNEQTUNM-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydronaphthalene?
The IUPAC name of 1,2-dihydronaphthalene (CID 161389674) is 1,2-dihydronaphthalene.
What is the SMILES notation for 1,2-dihydronaphthalene?
The canonical SMILES for 1,2-dihydronaphthalene is C1=Cc2ccccc2CC1.C1=Cc2ccccc2CC1.
What is the InChIKey of 1,2-dihydronaphthalene?
The InChIKey is VSUYGKPNEQTUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10/c2*1-2-6-10-8-4-3-7-9(10)5-1/h2*1-3,5-7H,4,8H2.
What are the key properties of 1,2-dihydronaphthalene?
1,2-dihydronaphthalene has a molecular weight of 260.38 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydronaphthalene is sourced from PubChem (CID 161389674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).