3-phenoxyazulene-1,7-dione

C16H10O3 — CID 91200824

IUPAC3-phenoxyazulene-1,7-dione
SMILESO=C1C=C(Oc2ccccc2)c2cccc(=O)cc21
InChIInChI=1S/C16H10O3/c17-11-5-4-8-13-14(9-11)15(18)10-16(13)19-12-6-2-1-3-7-12/h1-10H
InChIKeyPWSOAWCIVLGOPS-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.66
Rot. Bonds2

About 3-phenoxyazulene-1,7-dione

3-phenoxyazulene-1,7-dione (PubChem CID 91200824) has the molecular formula C16H10O3 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-phenoxyazulene-1,7-dione.

Molecular Properties

Compound Name3-phenoxyazulene-1,7-dione
PubChem CID91200824
Molecular FormulaC16H10O3
Molecular Weight250.25 g/mol
Exact Mass250.06
IUPAC Name3-phenoxyazulene-1,7-dione
SMILESO=C1C=C(Oc2ccccc2)c2cccc(=O)cc21
InChIInChI=1S/C16H10O3/c17-11-5-4-8-13-14(9-11)15(18)10-16(13)19-12-6-2-1-3-7-12/h1-10H
InChIKeyPWSOAWCIVLGOPS-UHFFFAOYSA-N
XLogP2.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11075208
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CID 170670636
3-bromoazulene-1,5-dione
CID 10900648
5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione
CID 122185484
5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione
CID 170670656
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 91239869
(3-oxoinden-1-yl) benzoate
CID 134124158
2-(3-phenoxyphenyl)isoindole-1,3-dione
CID 3091542
1-methyl-2-(3-phenoxyphenoxy)benzene
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3-phenoxyacenaphthylene-1,2-dione
CID 67381616

Frequently Asked Questions

What is the IUPAC name of 3-phenoxyazulene-1,7-dione?
The IUPAC name of 3-phenoxyazulene-1,7-dione (CID 91200824) is 3-phenoxyazulene-1,7-dione.
What is the SMILES notation for 3-phenoxyazulene-1,7-dione?
The canonical SMILES for 3-phenoxyazulene-1,7-dione is O=C1C=C(Oc2ccccc2)c2cccc(=O)cc21.
What is the InChIKey of 3-phenoxyazulene-1,7-dione?
The InChIKey is PWSOAWCIVLGOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O3/c17-11-5-4-8-13-14(9-11)15(18)10-16(13)19-12-6-2-1-3-7-12/h1-10H.
What are the key properties of 3-phenoxyazulene-1,7-dione?
3-phenoxyazulene-1,7-dione has a molecular weight of 250.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxyazulene-1,7-dione is sourced from PubChem (CID 91200824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).