tert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate

C17H24BrNO3 — CID 121346432

IUPACtert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate
SMILESCc1cc2c(cc1Br)OC(C)(C)CC2NC(=O)OC(C)(C)C
InChIInChI=1S/C17H24BrNO3/c1-10-7-11-13(19-15(20)22-16(2,3)4)9-17(5,6)21-14(11)8-12(10)18/h7-8,13H,9H2,1-6H3,(H,19,20)
InChIKeyODUZIJWEOGTXDV-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.88
Rot. Bonds1

About tert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate

tert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate (PubChem CID 121346432) has the molecular formula C17H24BrNO3 and a molecular weight of 370.29 g/mol. Its IUPAC name is tert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate
PubChem CID121346432
Molecular FormulaC17H24BrNO3
Molecular Weight370.29 g/mol
Exact Mass369.09
IUPAC Nametert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate
SMILESCc1cc2c(cc1Br)OC(C)(C)CC2NC(=O)OC(C)(C)C
InChIInChI=1S/C17H24BrNO3/c1-10-7-11-13(19-15(20)22-16(2,3)4)9-17(5,6)21-14(11)8-12(10)18/h7-8,13H,9H2,1-6H3,(H,19,20)
InChIKeyODUZIJWEOGTXDV-UHFFFAOYSA-N
XLogP4.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate?
The IUPAC name of tert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate (CID 121346432) is tert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate is Cc1cc2c(cc1Br)OC(C)(C)CC2NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate?
The InChIKey is ODUZIJWEOGTXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO3/c1-10-7-11-13(19-15(20)22-16(2,3)4)9-17(5,6)21-14(11)8-12(10)18/h7-8,13H,9H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate?
tert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate has a molecular weight of 370.29 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)carbamate is sourced from PubChem (CID 121346432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).