1-phenoxybenzo[b]phenalen-7-one

C23H14O2 — CID 154332188

IUPAC1-phenoxybenzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2c(Oc3ccccc3)ccc3cccc1c23
InChIInChI=1S/C23H14O2/c24-23-18-11-5-4-10-17(18)22-20(25-16-8-2-1-3-9-16)14-13-15-7-6-12-19(23)21(15)22/h1-14H
InChIKeyFWQBNTXMKXKGAL-UHFFFAOYSA-N
MW322.36 g/mol
LogP5.84
Rot. Bonds2

About 1-phenoxybenzo[b]phenalen-7-one

1-phenoxybenzo[b]phenalen-7-one (PubChem CID 154332188) has the molecular formula C23H14O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-phenoxybenzo[b]phenalen-7-one.

Molecular Properties

Compound Name1-phenoxybenzo[b]phenalen-7-one
PubChem CID154332188
Molecular FormulaC23H14O2
Molecular Weight322.36 g/mol
Exact Mass322.10
IUPAC Name1-phenoxybenzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2c(Oc3ccccc3)ccc3cccc1c23
InChIInChI=1S/C23H14O2/c24-23-18-11-5-4-10-17(18)22-20(25-16-8-2-1-3-9-16)14-13-15-7-6-12-19(23)21(15)22/h1-14H
InChIKeyFWQBNTXMKXKGAL-UHFFFAOYSA-N
XLogP5.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.36
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenoxyacenaphthylene-1,2-dione
CID 67381616
1-aminooxybenzo[b]phenalen-7-one
CID 163979497
1-phenylbenzo[b]phenalen-7-one
CID 12547034
2-amino-1-(7-oxobenzo[a]phenalen-1-yl)peroxybenzo[b]phenalen-7-one
CID 163770722
1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one
CID 154105159
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione
CID 22759192
benzo[a]phenalen-7-one;ethane
CID 90765972
1-pyridin-3-yloxyanthracene-9,10-dione
CID 54080210
1,2-dichlorobenzo[b]phenalen-7-one
CID 20841807
fluoranthen-1-yl prop-2-enoate
CID 164546686
2-bromo-7-oxobenzo[a]phenalene-1-carboxylic acid
CID 154092987

Frequently Asked Questions

What is the IUPAC name of 1-phenoxybenzo[b]phenalen-7-one?
The IUPAC name of 1-phenoxybenzo[b]phenalen-7-one (CID 154332188) is 1-phenoxybenzo[b]phenalen-7-one.
What is the SMILES notation for 1-phenoxybenzo[b]phenalen-7-one?
The canonical SMILES for 1-phenoxybenzo[b]phenalen-7-one is O=C1c2ccccc2-c2c(Oc3ccccc3)ccc3cccc1c23.
What is the InChIKey of 1-phenoxybenzo[b]phenalen-7-one?
The InChIKey is FWQBNTXMKXKGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O2/c24-23-18-11-5-4-10-17(18)22-20(25-16-8-2-1-3-9-16)14-13-15-7-6-12-19(23)21(15)22/h1-14H.
What are the key properties of 1-phenoxybenzo[b]phenalen-7-one?
1-phenoxybenzo[b]phenalen-7-one has a molecular weight of 322.36 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxybenzo[b]phenalen-7-one is sourced from PubChem (CID 154332188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).