6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene

C23H32O2 — CID 143112923

IUPAC6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC1=CC(c2c(OC)ccc3c2CCCC3)C(OC)C=C1
InChIInChI=1S/C23H32O2/c1-4-5-6-9-17-12-14-21(24-2)20(16-17)23-19-11-8-7-10-18(19)13-15-22(23)25-3/h12-16,20-21H,4-11H2,1-3H3
InChIKeyCQFZBANXOIAMCL-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.75
Rot. Bonds7

About 6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene

6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 143112923) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene
PubChem CID143112923
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC1=CC(c2c(OC)ccc3c2CCCC3)C(OC)C=C1
InChIInChI=1S/C23H32O2/c1-4-5-6-9-17-12-14-21(24-2)20(16-17)23-19-11-8-7-10-18(19)13-15-22(23)25-3/h12-16,20-21H,4-11H2,1-3H3
InChIKeyCQFZBANXOIAMCL-UHFFFAOYSA-N
XLogP5.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene 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 6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene (CID 143112923) is 6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene is CCCCCC1=CC(c2c(OC)ccc3c2CCCC3)C(OC)C=C1.
What is the InChIKey of 6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is CQFZBANXOIAMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-4-5-6-9-17-12-14-21(24-2)20(16-17)23-19-11-8-7-10-18(19)13-15-22(23)25-3/h12-16,20-21H,4-11H2,1-3H3.
What are the key properties of 6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene?
6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 340.51 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(6-methoxy-3-pentylcyclohexa-2,4-dien-1-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143112923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).