5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene

C14H19BrO — CID 134205934

IUPAC5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene
SMILESCc1cc(C(C)(C)C)c2c(c1Br)CCCO2
InChIInChI=1S/C14H19BrO/c1-9-8-11(14(2,3)4)13-10(12(9)15)6-5-7-16-13/h8H,5-7H2,1-4H3
InChIKeyUGNJBJRPDLMQAG-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.38
Rot. Bonds

About 5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene

5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene (PubChem CID 134205934) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene
PubChem CID134205934
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene
SMILESCc1cc(C(C)(C)C)c2c(c1Br)CCCO2
InChIInChI=1S/C14H19BrO/c1-9-8-11(14(2,3)4)13-10(12(9)15)6-5-7-16-13/h8H,5-7H2,1-4H3
InChIKeyUGNJBJRPDLMQAG-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene (CID 134205934) is 5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene is Cc1cc(C(C)(C)C)c2c(c1Br)CCCO2.
What is the InChIKey of 5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene?
The InChIKey is UGNJBJRPDLMQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-9-8-11(14(2,3)4)13-10(12(9)15)6-5-7-16-13/h8H,5-7H2,1-4H3.
What are the key properties of 5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene?
5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene has a molecular weight of 283.21 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 134205934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).