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

3,4-Dimethoxy-N,N-dimethyl-1-phenanthreneethanamine
CID 96918
Riccardin D
CID 11510446
1,4-Dimethoxyanthracene
CID 83107
Riccardin C
CID 10070992
Benzyl 2-naphthyl ether
CID 123080
Benzo(kl)xanthene
CID 67456
3,6-Dimethoxyphenanthren-4-yl acetate
CID 273034
Plagiochin E
CID 16757518
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
Naphthalene, 1-(phenylmethoxy)-
CID 136404
1-Methoxyphenanthrene
CID 43547

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).