3-bromo-2-phenylazulene-1,5-dione

C16H9BrO2 — CID 15195207

IUPAC3-bromo-2-phenylazulene-1,5-dione
SMILESO=C1C(c2ccccc2)=C(Br)c2cc(=O)cccc21
InChIInChI=1S/C16H9BrO2/c17-15-13-9-11(18)7-4-8-12(13)16(19)14(15)10-5-2-1-3-6-10/h1-9H
InChIKeyAOYHOIPFSJLUEC-UHFFFAOYSA-N
MW313.15 g/mol
LogP3.51
Rot. Bonds1

About 3-bromo-2-phenylazulene-1,5-dione

3-bromo-2-phenylazulene-1,5-dione (PubChem CID 15195207) has the molecular formula C16H9BrO2 and a molecular weight of 313.15 g/mol. Its IUPAC name is 3-bromo-2-phenylazulene-1,5-dione.

Molecular Properties

Compound Name3-bromo-2-phenylazulene-1,5-dione
PubChem CID15195207
Molecular FormulaC16H9BrO2
Molecular Weight313.15 g/mol
Exact Mass311.98
IUPAC Name3-bromo-2-phenylazulene-1,5-dione
SMILESO=C1C(c2ccccc2)=C(Br)c2cc(=O)cccc21
InChIInChI=1S/C16H9BrO2/c17-15-13-9-11(18)7-4-8-12(13)16(19)14(15)10-5-2-1-3-6-10/h1-9H
InChIKeyAOYHOIPFSJLUEC-UHFFFAOYSA-N
XLogP3.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one
CID 56589911
3-bromo-2-naphthalen-1-ylinden-1-one
CID 13310220
3-(4-bromoanilino)-2-phenylinden-1-one
CID 5224479
2-methyl-3-phenylinden-1-one
CID 2750462
2-amino-3-(3-chlorophenyl)naphthalene-1,4-dione
CID 90646353
2,3-bis(2-methyl-5-phenylthiophen-3-yl)naphthalene-1,4-dione
CID 101124465
2-amino-3-(4-fluorophenyl)naphthalene-1,4-dione
CID 950095
6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione
CID 141466090
3-bromoazulene-1,5-dione
CID 10900648
2-phenyl-3-(2-phenylethynyl)naphthalene-1,4-dione
CID 11588034
2-bromo-3-(3,5-difluorophenyl)inden-1-one
CID 123876513
2-amino-3-(2-bromophenyl)naphthalene-1,4-dione
CID 102334930

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-phenylazulene-1,5-dione?
The IUPAC name of 3-bromo-2-phenylazulene-1,5-dione (CID 15195207) is 3-bromo-2-phenylazulene-1,5-dione.
What is the SMILES notation for 3-bromo-2-phenylazulene-1,5-dione?
The canonical SMILES for 3-bromo-2-phenylazulene-1,5-dione is O=C1C(c2ccccc2)=C(Br)c2cc(=O)cccc21.
What is the InChIKey of 3-bromo-2-phenylazulene-1,5-dione?
The InChIKey is AOYHOIPFSJLUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrO2/c17-15-13-9-11(18)7-4-8-12(13)16(19)14(15)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 3-bromo-2-phenylazulene-1,5-dione?
3-bromo-2-phenylazulene-1,5-dione has a molecular weight of 313.15 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-phenylazulene-1,5-dione is sourced from PubChem (CID 15195207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).