7,8-dihydrobenzo[b]xanthen-12-one

C17H12O2 — CID 58280677

IUPAC7,8-dihydrobenzo[b]xanthen-12-one
SMILESO=c1c2ccccc2oc2cc3c(cc12)C=CCC3
InChIInChI=1S/C17H12O2/c18-17-13-7-3-4-8-15(13)19-16-10-12-6-2-1-5-11(12)9-14(16)17/h1,3-5,7-10H,2,6H2
InChIKeyJAPKFQNZVHGRTQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.91
Rot. Bonds

About 7,8-dihydrobenzo[b]xanthen-12-one

7,8-dihydrobenzo[b]xanthen-12-one (PubChem CID 58280677) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 7,8-dihydrobenzo[b]xanthen-12-one.

Molecular Properties

Compound Name7,8-dihydrobenzo[b]xanthen-12-one
PubChem CID58280677
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name7,8-dihydrobenzo[b]xanthen-12-one
SMILESO=c1c2ccccc2oc2cc3c(cc12)C=CCC3
InChIInChI=1S/C17H12O2/c18-17-13-7-3-4-8-15(13)19-16-10-12-6-2-1-5-11(12)9-14(16)17/h1,3-5,7-10H,2,6H2
InChIKeyJAPKFQNZVHGRTQ-UHFFFAOYSA-N
XLogP3.91
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 142555468
2-[10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 155714690
2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 88564469
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
propane;xanthen-9-one
CID 90876458
8,9-difluorobenzo[b]xanthen-12-one
CID 135167539
2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 145436557
2-[6-(9-oxo-5,6-dihydroxanthen-2-yl)dibenzothiophen-4-yl]xanthen-9-one
CID 123670275
bis(9-oxoxanthen-2-yl)iodanium
CID 23034927
2-chloro-3-hydroxyxanthen-9-one
CID 14663247
3-chloro-2-hydroxyxanthen-9-one
CID 15617016
10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one
CID 164850216

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydrobenzo[b]xanthen-12-one?
The IUPAC name of 7,8-dihydrobenzo[b]xanthen-12-one (CID 58280677) is 7,8-dihydrobenzo[b]xanthen-12-one.
What is the SMILES notation for 7,8-dihydrobenzo[b]xanthen-12-one?
The canonical SMILES for 7,8-dihydrobenzo[b]xanthen-12-one is O=c1c2ccccc2oc2cc3c(cc12)C=CCC3.
What is the InChIKey of 7,8-dihydrobenzo[b]xanthen-12-one?
The InChIKey is JAPKFQNZVHGRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2/c18-17-13-7-3-4-8-15(13)19-16-10-12-6-2-1-5-11(12)9-14(16)17/h1,3-5,7-10H,2,6H2.
What are the key properties of 7,8-dihydrobenzo[b]xanthen-12-one?
7,8-dihydrobenzo[b]xanthen-12-one has a molecular weight of 248.28 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydrobenzo[b]xanthen-12-one is sourced from PubChem (CID 58280677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).