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

C28H32O4S — CID 172625550

IUPAC7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)thiophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene
SMILESCOc1ccc2c(c1-c1ccc(-c3c(OC)ccc4c3OC(C)(C)CC4)s1)OC(C)(C)CC2
InChIInChI=1S/C28H32O4S/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
InChIKeyPZUIARGUSPBKGB-UHFFFAOYSA-N
MW464.63 g/mol
LogP7.31
Rot. Bonds4

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

7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)thiophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene (PubChem CID 172625550) has the molecular formula C28H32O4S and a molecular weight of 464.63 g/mol. Its IUPAC name is 7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)thiophen-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)thiophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene
PubChem CID172625550
Molecular FormulaC28H32O4S
Molecular Weight464.63 g/mol
Exact Mass464.20
IUPAC Name7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)thiophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene
SMILESCOc1ccc2c(c1-c1ccc(-c3c(OC)ccc4c3OC(C)(C)CC4)s1)OC(C)(C)CC2
InChIInChI=1S/C28H32O4S/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
InChIKeyPZUIARGUSPBKGB-UHFFFAOYSA-N
XLogP7.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)thiophen-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)thiophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene (CID 172625550) is 7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)thiophen-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)thiophen-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)thiophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene is COc1ccc2c(c1-c1ccc(-c3c(OC)ccc4c3OC(C)(C)CC4)s1)OC(C)(C)CC2.
What is the InChIKey of 7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)thiophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene?
The InChIKey is PZUIARGUSPBKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O4S/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)thiophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene?
7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)thiophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene has a molecular weight of 464.63 g/mol, XLogP of 7.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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)thiophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene is sourced from PubChem (CID 172625550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).