1H-benzo[j]naphthalene

C14H12 — CID 122204342

IUPAC1H-benzo[j]naphthalene
SMILESC1=CCC23C=CC=CC2=CC=CC3=C1
InChIInChI=1S/C14H12/c1-3-10-14-11-4-2-7-13(14)9-5-8-12(14)6-1/h1-10H,11H2
InChIKeyXSAUGYQCWBMDOX-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.48
Rot. Bonds

About 1H-benzo[j]naphthalene

1H-benzo[j]naphthalene (PubChem CID 122204342) has the molecular formula C14H12 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1H-benzo[j]naphthalene.

Molecular Properties

Compound Name1H-benzo[j]naphthalene
PubChem CID122204342
Molecular FormulaC14H12
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Name1H-benzo[j]naphthalene
SMILESC1=CCC23C=CC=CC2=CC=CC3=C1
InChIInChI=1S/C14H12/c1-3-10-14-11-4-2-7-13(14)9-5-8-12(14)6-1/h1-10H,11H2
InChIKeyXSAUGYQCWBMDOX-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1H-benzo[j]naphthalene?
The IUPAC name of 1H-benzo[j]naphthalene (CID 122204342) is 1H-benzo[j]naphthalene.
What is the SMILES notation for 1H-benzo[j]naphthalene?
The canonical SMILES for 1H-benzo[j]naphthalene is C1=CCC23C=CC=CC2=CC=CC3=C1.
What is the InChIKey of 1H-benzo[j]naphthalene?
The InChIKey is XSAUGYQCWBMDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12/c1-3-10-14-11-4-2-7-13(14)9-5-8-12(14)6-1/h1-10H,11H2.
What are the key properties of 1H-benzo[j]naphthalene?
1H-benzo[j]naphthalene has a molecular weight of 180.25 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[j]naphthalene is sourced from PubChem (CID 122204342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).