4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine

C22H32O3 — CID 141379287

IUPAC4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine
SMILESCOc1cc(C)c2c(c1)OCOC2(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H32O3/c1-16-13-19(23-2)14-20-21(16)22(25-15-24-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h13-14,17-18H,3-12,15H2,1-2H3
InChIKeyLNCFXFWQBYNKBT-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.73
Rot. Bonds3

About 4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine

4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine (PubChem CID 141379287) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine.

Molecular Properties

Compound Name4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine
PubChem CID141379287
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Name4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine
SMILESCOc1cc(C)c2c(c1)OCOC2(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H32O3/c1-16-13-19(23-2)14-20-21(16)22(25-15-24-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h13-14,17-18H,3-12,15H2,1-2H3
InChIKeyLNCFXFWQBYNKBT-UHFFFAOYSA-N
XLogP5.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine with MolForge

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

Launch Full Analysis

Related Compounds

L-759,633
CID 5311215
Cannabicitran
CID 101820920
(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-methoxy-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran
CID 15114753
L 759656
CID 5311216
Jwh-229
CID 44581105
Heterophylol
CID 15227962
(6aR,10aR)-1-hexyl-6,6,9-trimethyl-1,2,3,4,6a,7,10,10a-octahydronaphtho[1,2-c]isochromen-11-ol
CID 10045453
(4aR,12bR)-8-Hexyl-2,5,5-trimethyl-1,4a,5,8,9,10,11,12b-octahydro-4H-6-oxa-benzo[a]anthracen-12-ol
CID 10091328
(4aR,12bR)-2,5,5-Trimethyl-9-pentyl-1,4a,5,8,9,10,11,12b-octahydro-4H-6-oxa-benzo[a]anthracen-12-ol
CID 10339049
O-Methyl-delta-9 tetrahydrocannabinol
CID 3082445
2,4,7-Trimethoxy-9,10-dihydrophenanthrene
CID 15693459
6H-Dibenzo(b,d)pyran-3-ol, 6a-beta,7,8,10-a-beta-tetrahydro-1-pentyl-6,6,9-trimethyl-, (+-)-Z-
CID 108295

Frequently Asked Questions

What is the IUPAC name of 4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine?
The IUPAC name of 4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine (CID 141379287) is 4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine.
What is the SMILES notation for 4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine?
The canonical SMILES for 4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine is COc1cc(C)c2c(c1)OCOC2(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine?
The InChIKey is LNCFXFWQBYNKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O3/c1-16-13-19(23-2)14-20-21(16)22(25-15-24-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h13-14,17-18H,3-12,15H2,1-2H3.
What are the key properties of 4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine?
4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine has a molecular weight of 344.50 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine is sourced from PubChem (CID 141379287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).