8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole

C19H18N2O3Se — CID 88638466

IUPAC8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole
SMILESCOc1cc2c(cc1OCc1ccccc1)OC(C)(C)c1[se]nnc1-2
InChIInChI=1S/C19H18N2O3Se/c1-19(2)18-17(20-21-25-18)13-9-15(22-3)16(10-14(13)24-19)23-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyVRMZPRPRWCMPKO-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.42
Rot. Bonds4

About 8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole

8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole (PubChem CID 88638466) has the molecular formula C19H18N2O3Se and a molecular weight of 401.32 g/mol. Its IUPAC name is 8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole.

Molecular Properties

Compound Name8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole
PubChem CID88638466
Molecular FormulaC19H18N2O3Se
Molecular Weight401.32 g/mol
Exact Mass402.05
IUPAC Name8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole
SMILESCOc1cc2c(cc1OCc1ccccc1)OC(C)(C)c1[se]nnc1-2
InChIInChI=1S/C19H18N2O3Se/c1-19(2)18-17(20-21-25-18)13-9-15(22-3)16(10-14(13)24-19)23-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyVRMZPRPRWCMPKO-UHFFFAOYSA-N
XLogP3.42
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole 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

8-methoxy-4,4-dimethyl-7-(naphthalen-1-ylmethoxy)chromeno[4,3-d]selenadiazole
CID 88638496
diethyl (8-methoxy-4,4-dimethylchromeno[4,3-d]selenadiazol-7-yl) phosphate
CID 88638690
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline
CID 66880803
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 156760249
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
8-methoxy-2,9-dimethyl-3-phenylmethoxyspiro[benzo[c]chromene-6,1'-cyclopentane]
CID 170744409

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole?
The IUPAC name of 8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole (CID 88638466) is 8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole.
What is the SMILES notation for 8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole?
The canonical SMILES for 8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole is COc1cc2c(cc1OCc1ccccc1)OC(C)(C)c1[se]nnc1-2.
What is the InChIKey of 8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole?
The InChIKey is VRMZPRPRWCMPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3Se/c1-19(2)18-17(20-21-25-18)13-9-15(22-3)16(10-14(13)24-19)23-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3.
What are the key properties of 8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole?
8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole has a molecular weight of 401.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4,4-dimethyl-7-phenylmethoxychromeno[4,3-d]selenadiazole is sourced from PubChem (CID 88638466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).