8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene

C20H20Br2O2 — CID 142711841

IUPAC8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene
SMILESCc1cc(Br)c2c(c1)C(C1CCOc3c(Br)cc(C)cc31)CCO2
InChIInChI=1S/C20H20Br2O2/c1-11-7-15-13(3-5-23-19(15)17(21)9-11)14-4-6-24-20-16(14)8-12(2)10-18(20)22/h7-10,13-14H,3-6H2,1-2H3
InChIKeyYJPIVQQLVXEHFL-UHFFFAOYSA-N
MW452.19 g/mol
LogP6.26
Rot. Bonds1

About 8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene

8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene (PubChem CID 142711841) has the molecular formula C20H20Br2O2 and a molecular weight of 452.19 g/mol. Its IUPAC name is 8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene
PubChem CID142711841
Molecular FormulaC20H20Br2O2
Molecular Weight452.19 g/mol
Exact Mass449.98
IUPAC Name8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene
SMILESCc1cc(Br)c2c(c1)C(C1CCOc3c(Br)cc(C)cc31)CCO2
InChIInChI=1S/C20H20Br2O2/c1-11-7-15-13(3-5-23-19(15)17(21)9-11)14-4-6-24-20-16(14)8-12(2)10-18(20)22/h7-10,13-14H,3-6H2,1-2H3
InChIKeyYJPIVQQLVXEHFL-UHFFFAOYSA-N
XLogP6.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.19
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104831142
7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512238
4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene
CID 130787930
(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 42220750
6,8-dibromo-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64719069
(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 67303952
(7-bromo-5-methyl-2,3-dihydro-1-benzofuran-3-yl) acetate
CID 176973230
(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103693937
(4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 79014174
(4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine
CID 131380800
8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43512571
9-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233529

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene (CID 142711841) is 8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene is Cc1cc(Br)c2c(c1)C(C1CCOc3c(Br)cc(C)cc31)CCO2.
What is the InChIKey of 8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene?
The InChIKey is YJPIVQQLVXEHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Br2O2/c1-11-7-15-13(3-5-23-19(15)17(21)9-11)14-4-6-24-20-16(14)8-12(2)10-18(20)22/h7-10,13-14H,3-6H2,1-2H3.
What are the key properties of 8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene?
8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene has a molecular weight of 452.19 g/mol, XLogP of 6.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 142711841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).