6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol

C21H23BrO5 — CID 146373863

IUPAC6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol
SMILESCOc1ccc2c(c1O)CCCC(Br)=C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H23BrO5/c1-24-16-9-8-13-14(20(16)23)6-5-7-15(22)19(13)12-10-17(25-2)21(27-4)18(11-12)26-3/h8-11,23H,5-7H2,1-4H3
InChIKeyLOYLZKMORGALDJ-UHFFFAOYSA-N
MW435.31 g/mol
LogP4.92
Rot. Bonds5

About 6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol

6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol (PubChem CID 146373863) has the molecular formula C21H23BrO5 and a molecular weight of 435.31 g/mol. Its IUPAC name is 6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol.

Molecular Properties

Compound Name6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol
PubChem CID146373863
Molecular FormulaC21H23BrO5
Molecular Weight435.31 g/mol
Exact Mass434.07
IUPAC Name6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol
SMILESCOc1ccc2c(c1O)CCCC(Br)=C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H23BrO5/c1-24-16-9-8-13-14(20(16)23)6-5-7-15(22)19(13)12-10-17(25-2)21(27-4)18(11-12)26-3/h8-11,23H,5-7H2,1-4H3
InChIKeyLOYLZKMORGALDJ-UHFFFAOYSA-N
XLogP4.92
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol with MolForge

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Related Compounds

2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol
CID 72725280
6-(2-hydroxyethyl)-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol
CID 72725156
3-(4-hydroxy-3,5-dimethoxyphenyl)-2,6-dimethoxyphenol
CID 53362757
2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-6-yl]acetaldehyde
CID 72725155
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one
CID 19688731
cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 145336947
6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol
CID 84656926
2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene
CID 68923240
4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol
CID 118296068
5-methoxy-2,3-dihydro-1-benzofuran-4-ol
CID 105432938
2-(2-bromocyclopenten-1-yl)-1-methoxy-4-(trifluoromethyl)benzene
CID 68934613

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol?
The IUPAC name of 6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol (CID 146373863) is 6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol.
What is the SMILES notation for 6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol?
The canonical SMILES for 6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol is COc1ccc2c(c1O)CCCC(Br)=C2c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol?
The InChIKey is LOYLZKMORGALDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrO5/c1-24-16-9-8-13-14(20(16)23)6-5-7-15(22)19(13)12-10-17(25-2)21(27-4)18(11-12)26-3/h8-11,23H,5-7H2,1-4H3.
What are the key properties of 6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol?
6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol has a molecular weight of 435.31 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol is sourced from PubChem (CID 146373863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).