1,4-dihydroanthracene

C14H12 — CID 10142816

IUPAC1,4-dihydroanthracene
SMILESC1=CCc2cc3ccccc3cc2C1
InChIInChI=1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-6,9-10H,7-8H2
InChIKeyFTDLXZYXJAJLIP-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.49
Rot. Bonds

About 1,4-dihydroanthracene

1,4-dihydroanthracene (PubChem CID 10142816) has the molecular formula C14H12 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,4-dihydroanthracene.

Molecular Properties

Compound Name1,4-dihydroanthracene
PubChem CID10142816
Molecular FormulaC14H12
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Name1,4-dihydroanthracene
SMILESC1=CCc2cc3ccccc3cc2C1
InChIInChI=1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-6,9-10H,7-8H2
InChIKeyFTDLXZYXJAJLIP-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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 1,4-dihydroanthracene?
The IUPAC name of 1,4-dihydroanthracene (CID 10142816) is 1,4-dihydroanthracene.
What is the SMILES notation for 1,4-dihydroanthracene?
The canonical SMILES for 1,4-dihydroanthracene is C1=CCc2cc3ccccc3cc2C1.
What is the InChIKey of 1,4-dihydroanthracene?
The InChIKey is FTDLXZYXJAJLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-6,9-10H,7-8H2.
What are the key properties of 1,4-dihydroanthracene?
1,4-dihydroanthracene has a molecular weight of 180.25 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroanthracene is sourced from PubChem (CID 10142816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).