2-anthracen-9-yl-1,3-dioxolane

C17H14O2 — CID 4060722

IUPAC2-anthracen-9-yl-1,3-dioxolane
SMILESc1ccc2c(C3OCCO3)c3ccccc3cc2c1
InChIInChI=1S/C17H14O2/c1-3-7-14-12(5-1)11-13-6-2-4-8-15(13)16(14)17-18-9-10-19-17/h1-8,11,17H,9-10H2
InChIKeyRDPZFVZDKKOOAA-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.04
Rot. Bonds1

About 2-anthracen-9-yl-1,3-dioxolane

2-anthracen-9-yl-1,3-dioxolane (PubChem CID 4060722) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-anthracen-9-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-anthracen-9-yl-1,3-dioxolane
PubChem CID4060722
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name2-anthracen-9-yl-1,3-dioxolane
SMILESc1ccc2c(C3OCCO3)c3ccccc3cc2c1
InChIInChI=1S/C17H14O2/c1-3-7-14-12(5-1)11-13-6-2-4-8-15(13)16(14)17-18-9-10-19-17/h1-8,11,17H,9-10H2
InChIKeyRDPZFVZDKKOOAA-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-
CID 3034278
9-Anthracenemethanol, acetate
CID 27876
8-(Naphthalen-1-yl)-7,9-dioxaspiro[4.5]decane
CID 282464
3-(3-Naphthalen-1-ylphenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72205997
3-(3-Naphthalen-2-ylphenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72205998
8-(Naphthalen-2-yl)-7,9-dioxaspiro[4.5]decane
CID 282465
3-(Naphthalen-1-yl)-2,4-dioxaspiro[5.5]undecane
CID 282469
1-[[(E)-3-phenylprop-2-enoxy]methyl]naphthalene
CID 20141139
2-(Naphthalen-2-yl)-1,3-dioxane
CID 297642
(Acetyloxy)(9-anthryl)methyl acetate
CID 380624
1-phenyl-1,4-epoxy-1H,4H-naphtho(1,8-de)(1,2)dioxepin
CID 10221228
1-(Dimethoxymethyl)naphthalene
CID 598713

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-yl-1,3-dioxolane?
The IUPAC name of 2-anthracen-9-yl-1,3-dioxolane (CID 4060722) is 2-anthracen-9-yl-1,3-dioxolane.
What is the SMILES notation for 2-anthracen-9-yl-1,3-dioxolane?
The canonical SMILES for 2-anthracen-9-yl-1,3-dioxolane is c1ccc2c(C3OCCO3)c3ccccc3cc2c1.
What is the InChIKey of 2-anthracen-9-yl-1,3-dioxolane?
The InChIKey is RDPZFVZDKKOOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-3-7-14-12(5-1)11-13-6-2-4-8-15(13)16(14)17-18-9-10-19-17/h1-8,11,17H,9-10H2.
What are the key properties of 2-anthracen-9-yl-1,3-dioxolane?
2-anthracen-9-yl-1,3-dioxolane has a molecular weight of 250.30 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-1,3-dioxolane is sourced from PubChem (CID 4060722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).