7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene

C28H32O4Se — CID 172625549

IUPAC7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene
SMILESCOc1ccc2c(c1-c1ccc(-c3c(OC)ccc4c3OC(C)(C)CC4)[se]1)OC(C)(C)CC2
InChIInChI=1S/C28H32O4Se/c1-27(2)15-13-17-7-9-19(29-5)23(25(17)31-27)21-11-12-22(33-21)24-20(30-6)10-8-18-14-16-28(3,4)32-26(18)24/h7-12H,13-16H2,1-6H3
InChIKeyVSAWCVHQSXQBOC-UHFFFAOYSA-N
MW511.52 g/mol
LogP6.30
Rot. Bonds4

About 7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene

7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene (PubChem CID 172625549) has the molecular formula C28H32O4Se and a molecular weight of 511.52 g/mol. Its IUPAC name is 7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene
PubChem CID172625549
Molecular FormulaC28H32O4Se
Molecular Weight511.52 g/mol
Exact Mass512.15
IUPAC Name7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene
SMILESCOc1ccc2c(c1-c1ccc(-c3c(OC)ccc4c3OC(C)(C)CC4)[se]1)OC(C)(C)CC2
InChIInChI=1S/C28H32O4Se/c1-27(2)15-13-17-7-9-19(29-5)23(25(17)31-27)21-11-12-22(33-21)24-20(30-6)10-8-18-14-16-28(3,4)32-26(18)24/h7-12H,13-16H2,1-6H3
InChIKeyVSAWCVHQSXQBOC-UHFFFAOYSA-N
XLogP6.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.52
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)thiophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene
CID 172625550
5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene
CID 171049136
7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 10176661
5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one
CID 163067078
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid
CID 117367979
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine
CID 84673537
6-methoxy-2,3-dihydro-1-benzofuran-7-thiol
CID 168942495
7-bromo-6-methoxy-2,3-dihydro-1-benzofuran
CID 84692337
1,4-dimethyl-5-phenyl-2-(2,2,7-trimethyl-3,4-dihydrochromen-8-yl)pyridin-1-ium
CID 157351072
(5S,14S)-5-hydroxy-11-methoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-one
CID 129234880
(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate
CID 89221071
8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine
CID 70446962

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene?
The IUPAC name of 7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene (CID 172625549) is 7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene.
What is the SMILES notation for 7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene?
The canonical SMILES for 7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene is COc1ccc2c(c1-c1ccc(-c3c(OC)ccc4c3OC(C)(C)CC4)[se]1)OC(C)(C)CC2.
What is the InChIKey of 7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene?
The InChIKey is VSAWCVHQSXQBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O4Se/c1-27(2)15-13-17-7-9-19(29-5)23(25(17)31-27)21-11-12-22(33-21)24-20(30-6)10-8-18-14-16-28(3,4)32-26(18)24/h7-12H,13-16H2,1-6H3.
What are the key properties of 7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene?
7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene has a molecular weight of 511.52 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene is sourced from PubChem (CID 172625549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).