2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran

C26H26O3 — CID 143213258

IUPAC2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran
SMILESCc1cc2oc3cc(C)c(OC4CCCCC4)cc3c2cc1Oc1ccccc1
InChIInChI=1S/C26H26O3/c1-17-13-25-21(15-23(17)27-19-9-5-3-6-10-19)22-16-24(18(2)14-26(22)29-25)28-20-11-7-4-8-12-20/h3,5-6,9-10,13-16,20H,4,7-8,11-12H2,1-2H3
InChIKeyNBYCHTQPYFXJKJ-UHFFFAOYSA-N
MW386.49 g/mol
LogP7.71
Rot. Bonds4

About 2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran

2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran (PubChem CID 143213258) has the molecular formula C26H26O3 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran.

Molecular Properties

Compound Name2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran
PubChem CID143213258
Molecular FormulaC26H26O3
Molecular Weight386.49 g/mol
Exact Mass386.19
IUPAC Name2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran
SMILESCc1cc2oc3cc(C)c(OC4CCCCC4)cc3c2cc1Oc1ccccc1
InChIInChI=1S/C26H26O3/c1-17-13-25-21(15-23(17)27-19-9-5-3-6-10-19)22-16-24(18(2)14-26(22)29-25)28-20-11-7-4-8-12-20/h3,5-6,9-10,13-16,20H,4,7-8,11-12H2,1-2H3
InChIKeyNBYCHTQPYFXJKJ-UHFFFAOYSA-N
XLogP7.71
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran 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-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran?
The IUPAC name of 2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran (CID 143213258) is 2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran.
What is the SMILES notation for 2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran?
The canonical SMILES for 2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran is Cc1cc2oc3cc(C)c(OC4CCCCC4)cc3c2cc1Oc1ccccc1.
What is the InChIKey of 2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran?
The InChIKey is NBYCHTQPYFXJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O3/c1-17-13-25-21(15-23(17)27-19-9-5-3-6-10-19)22-16-24(18(2)14-26(22)29-25)28-20-11-7-4-8-12-20/h3,5-6,9-10,13-16,20H,4,7-8,11-12H2,1-2H3.
What are the key properties of 2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran?
2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran has a molecular weight of 386.49 g/mol, XLogP of 7.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-3,7-dimethyl-8-phenoxydibenzofuran is sourced from PubChem (CID 143213258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).