2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene

C15H22O4 — CID 70275099

IUPAC2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene
SMILESCOC1=C(OC)C(OC)(OC)CC2=C1C=CCCC2
InChIInChI=1S/C15H22O4/c1-16-13-12-9-7-5-6-8-11(12)10-15(18-3,19-4)14(13)17-2/h7,9H,5-6,8,10H2,1-4H3
InChIKeyOCWXCONGSDUUFD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.92
Rot. Bonds4

About 2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene

2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene (PubChem CID 70275099) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene.

Molecular Properties

Compound Name2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene
PubChem CID70275099
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene
SMILESCOC1=C(OC)C(OC)(OC)CC2=C1C=CCCC2
InChIInChI=1S/C15H22O4/c1-16-13-12-9-7-5-6-8-11(12)10-15(18-3,19-4)14(13)17-2/h7,9H,5-6,8,10H2,1-4H3
InChIKeyOCWXCONGSDUUFD-UHFFFAOYSA-N
XLogP2.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene?
The IUPAC name of 2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene (CID 70275099) is 2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene.
What is the SMILES notation for 2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene?
The canonical SMILES for 2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene is COC1=C(OC)C(OC)(OC)CC2=C1C=CCCC2.
What is the InChIKey of 2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene?
The InChIKey is OCWXCONGSDUUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-16-13-12-9-7-5-6-8-11(12)10-15(18-3,19-4)14(13)17-2/h7,9H,5-6,8,10H2,1-4H3.
What are the key properties of 2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene?
2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene has a molecular weight of 266.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4-tetramethoxy-1,7,8,9-tetrahydrobenzo[7]annulene is sourced from PubChem (CID 70275099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).