1,2-diethylanthracene

C18H18 — CID 19372429

IUPAC1,2-diethylanthracene
SMILESCCc1ccc2cc3ccccc3cc2c1CC
InChIInChI=1S/C18H18/c1-3-13-9-10-16-11-14-7-5-6-8-15(14)12-18(16)17(13)4-2/h5-12H,3-4H2,1-2H3
InChIKeyZPKVXYPKROQWOB-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.12
Rot. Bonds2

About 1,2-diethylanthracene

1,2-diethylanthracene (PubChem CID 19372429) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1,2-diethylanthracene.

Molecular Properties

Compound Name1,2-diethylanthracene
PubChem CID19372429
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1,2-diethylanthracene
SMILESCCc1ccc2cc3ccccc3cc2c1CC
InChIInChI=1S/C18H18/c1-3-13-9-10-16-11-14-7-5-6-8-15(14)12-18(16)17(13)4-2/h5-12H,3-4H2,1-2H3
InChIKeyZPKVXYPKROQWOB-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethylanthracen-1-amine
CID 23131273
aziridine;1,2-diethylnaphthalene
CID 88846211
1-ethylanthracene;formic acid
CID 175485335
10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 142255982
1,2-bis[(4-methoxyphenyl)methyl]anthracene
CID 174931223
7,9-diethylbenzo[a]anthracene
CID 91740932
10-ethylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 90794519
1,2-bis(2-octyldecyl)anthracene
CID 174690477
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
CID 157090523
CID 157090523
benzo[a]anthracene;hydrobromide
CID 159787028
CID 173411630
CID 173411630

Frequently Asked Questions

What is the IUPAC name of 1,2-diethylanthracene?
The IUPAC name of 1,2-diethylanthracene (CID 19372429) is 1,2-diethylanthracene.
What is the SMILES notation for 1,2-diethylanthracene?
The canonical SMILES for 1,2-diethylanthracene is CCc1ccc2cc3ccccc3cc2c1CC.
What is the InChIKey of 1,2-diethylanthracene?
The InChIKey is ZPKVXYPKROQWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-3-13-9-10-16-11-14-7-5-6-8-15(14)12-18(16)17(13)4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 1,2-diethylanthracene?
1,2-diethylanthracene has a molecular weight of 234.34 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylanthracene is sourced from PubChem (CID 19372429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).