7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene

C25H30Cl2O2 — CID 166900623

IUPAC7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene
SMILESCC(C)(C)c1ccc2c(c1Cl)OCC(CC(C)(C)c1ccc3c(c1Cl)OCC3)C2
InChIInChI=1S/C25H30Cl2O2/c1-24(2,3)18-8-7-17-12-15(14-29-23(17)20(18)26)13-25(4,5)19-9-6-16-10-11-28-22(16)21(19)27/h6-9,15H,10-14H2,1-5H3
InChIKeyBUOQHYKXAVHGEH-UHFFFAOYSA-N
MW433.42 g/mol
LogP7.14
Rot. Bonds3

About 7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene

7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene (PubChem CID 166900623) has the molecular formula C25H30Cl2O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is 7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene
PubChem CID166900623
Molecular FormulaC25H30Cl2O2
Molecular Weight433.42 g/mol
Exact Mass432.16
IUPAC Name7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene
SMILESCC(C)(C)c1ccc2c(c1Cl)OCC(CC(C)(C)c1ccc3c(c1Cl)OCC3)C2
InChIInChI=1S/C25H30Cl2O2/c1-24(2,3)18-8-7-17-12-15(14-29-23(17)20(18)26)13-25(4,5)19-9-6-16-10-11-28-22(16)21(19)27/h6-9,15H,10-14H2,1-5H3
InChIKeyBUOQHYKXAVHGEH-UHFFFAOYSA-N
XLogP7.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.42
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene (CID 166900623) is 7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene is CC(C)(C)c1ccc2c(c1Cl)OCC(CC(C)(C)c1ccc3c(c1Cl)OCC3)C2.
What is the InChIKey of 7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene?
The InChIKey is BUOQHYKXAVHGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2O2/c1-24(2,3)18-8-7-17-12-15(14-29-23(17)20(18)26)13-25(4,5)19-9-6-16-10-11-28-22(16)21(19)27/h6-9,15H,10-14H2,1-5H3.
What are the key properties of 7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene?
7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene has a molecular weight of 433.42 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 166900623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).