6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene

C30H43NO3 — CID 144695953

IUPAC6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene
SMILESC=CC.Cc1ccccc1C1CCc2cc(OC3CCCCC3)ccc2O1.NCC1CCOC1
InChIInChI=1S/C22H26O2.C5H11NO.C3H6/c1-16-7-5-6-10-20(16)22-13-11-17-15-19(12-14-21(17)24-22)23-18-8-3-2-4-9-18;6-3-5-1-2-7-4-5;1-3-2/h5-7,10,12,14-15,18,22H,2-4,8-9,11,13H2,1H3;5H,1-4,6H2;3H,1H2,2H3
InChIKeyYUAVWYFEYRMMLA-UHFFFAOYSA-N
MW465.68 g/mol
LogP6.95
Rot. Bonds4

About 6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene

6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene (PubChem CID 144695953) has the molecular formula C30H43NO3 and a molecular weight of 465.68 g/mol. Its IUPAC name is 6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene.

Molecular Properties

Compound Name6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene
PubChem CID144695953
Molecular FormulaC30H43NO3
Molecular Weight465.68 g/mol
Exact Mass465.32
IUPAC Name6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene
SMILESC=CC.Cc1ccccc1C1CCc2cc(OC3CCCCC3)ccc2O1.NCC1CCOC1
InChIInChI=1S/C22H26O2.C5H11NO.C3H6/c1-16-7-5-6-10-20(16)22-13-11-17-15-19(12-14-21(17)24-22)23-18-8-3-2-4-9-18;6-3-5-1-2-7-4-5;1-3-2/h5-7,10,12,14-15,18,22H,2-4,8-9,11,13H2,1H3;5H,1-4,6H2;3H,1H2,2H3
InChIKeyYUAVWYFEYRMMLA-UHFFFAOYSA-N
XLogP6.95
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.68
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene 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-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene?
The IUPAC name of 6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene (CID 144695953) is 6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene.
What is the SMILES notation for 6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene?
The canonical SMILES for 6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene is C=CC.Cc1ccccc1C1CCc2cc(OC3CCCCC3)ccc2O1.NCC1CCOC1.
What is the InChIKey of 6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene?
The InChIKey is YUAVWYFEYRMMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2.C5H11NO.C3H6/c1-16-7-5-6-10-20(16)22-13-11-17-15-19(12-14-21(17)24-22)23-18-8-3-2-4-9-18;6-3-5-1-2-7-4-5;1-3-2/h5-7,10,12,14-15,18,22H,2-4,8-9,11,13H2,1H3;5H,1-4,6H2;3H,1H2,2H3.
What are the key properties of 6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene?
6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene has a molecular weight of 465.68 g/mol, XLogP of 6.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene is sourced from PubChem (CID 144695953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).