2-methyl-1,2,3,4-tetrahydrotetracene

C19H18 — CID 19962649

IUPAC2-methyl-1,2,3,4-tetrahydrotetracene
SMILESCC1CCc2cc3cc4ccccc4cc3cc2C1
InChIInChI=1S/C19H18/c1-13-6-7-16-11-18-9-14-4-2-3-5-15(14)10-19(18)12-17(16)8-13/h2-5,9-13H,6-8H2,1H3
InChIKeyJHYDJRQCNHKEBN-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.12
Rot. Bonds

About 2-methyl-1,2,3,4-tetrahydrotetracene

2-methyl-1,2,3,4-tetrahydrotetracene (PubChem CID 19962649) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-1,2,3,4-tetrahydrotetracene.

Molecular Properties

Compound Name2-methyl-1,2,3,4-tetrahydrotetracene
PubChem CID19962649
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name2-methyl-1,2,3,4-tetrahydrotetracene
SMILESCC1CCc2cc3cc4ccccc4cc3cc2C1
InChIInChI=1S/C19H18/c1-13-6-7-16-11-18-9-14-4-2-3-5-15(14)10-19(18)12-17(16)8-13/h2-5,9-13H,6-8H2,1H3
InChIKeyJHYDJRQCNHKEBN-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,4-tetrahydrotetracene?
The IUPAC name of 2-methyl-1,2,3,4-tetrahydrotetracene (CID 19962649) is 2-methyl-1,2,3,4-tetrahydrotetracene.
What is the SMILES notation for 2-methyl-1,2,3,4-tetrahydrotetracene?
The canonical SMILES for 2-methyl-1,2,3,4-tetrahydrotetracene is CC1CCc2cc3cc4ccccc4cc3cc2C1.
What is the InChIKey of 2-methyl-1,2,3,4-tetrahydrotetracene?
The InChIKey is JHYDJRQCNHKEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-13-6-7-16-11-18-9-14-4-2-3-5-15(14)10-19(18)12-17(16)8-13/h2-5,9-13H,6-8H2,1H3.
What are the key properties of 2-methyl-1,2,3,4-tetrahydrotetracene?
2-methyl-1,2,3,4-tetrahydrotetracene has a molecular weight of 246.35 g/mol, XLogP of 5.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4-tetrahydrotetracene is sourced from PubChem (CID 19962649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).