1,2-diethoxytetracene

C22H20O2 — CID 141276964

IUPAC1,2-diethoxytetracene
SMILESCCOc1ccc2cc3cc4ccccc4cc3cc2c1OCC
InChIInChI=1S/C22H20O2/c1-3-23-21-10-9-17-13-18-11-15-7-5-6-8-16(15)12-19(18)14-20(17)22(21)24-4-2/h5-14H,3-4H2,1-2H3
InChIKeyVLAHFFPPRZJEET-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.94
Rot. Bonds4

About 1,2-diethoxytetracene

1,2-diethoxytetracene (PubChem CID 141276964) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1,2-diethoxytetracene.

Molecular Properties

Compound Name1,2-diethoxytetracene
PubChem CID141276964
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name1,2-diethoxytetracene
SMILESCCOc1ccc2cc3cc4ccccc4cc3cc2c1OCC
InChIInChI=1S/C22H20O2/c1-3-23-21-10-9-17-13-18-11-15-7-5-6-8-16(15)12-19(18)14-20(17)22(21)24-4-2/h5-14H,3-4H2,1-2H3
InChIKeyVLAHFFPPRZJEET-UHFFFAOYSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.94
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

(2-ethoxyanthracen-1-yl)phosphonic acid
CID 152670322
1-ethoxyphenanthrene
CID 19828992
1-ethoxy-2-methoxynaphthalene
CID 45093938
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
1,7-diethoxynaphthalene
CID 13359547
boric acid;9-ethoxyanthracene
CID 175362289
lithium;1-ethoxynaphthalene;hydride
CID 174613942
CID 157090523
CID 157090523
benzo[a]anthracene;hydrobromide
CID 159787028
N-(12-dodecacyclo[24.24.0.02,23.04,21.06,19.08,17.010,15.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6(19),7,9,11,13,15,17,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaenyl)-N'-(2-ethoxyphenyl)oxamide
CID 139970079
4-ethoxynaphthalen-2-amine
CID 57115135
2-ethoxynaphthalene
CID 118978197

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxytetracene?
The IUPAC name of 1,2-diethoxytetracene (CID 141276964) is 1,2-diethoxytetracene.
What is the SMILES notation for 1,2-diethoxytetracene?
The canonical SMILES for 1,2-diethoxytetracene is CCOc1ccc2cc3cc4ccccc4cc3cc2c1OCC.
What is the InChIKey of 1,2-diethoxytetracene?
The InChIKey is VLAHFFPPRZJEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-3-23-21-10-9-17-13-18-11-15-7-5-6-8-16(15)12-19(18)14-20(17)22(21)24-4-2/h5-14H,3-4H2,1-2H3.
What are the key properties of 1,2-diethoxytetracene?
1,2-diethoxytetracene has a molecular weight of 316.40 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxytetracene is sourced from PubChem (CID 141276964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).