3-fluoro-2-methylbenzo[b]xanthen-12-one

C18H11FO2 — CID 135179036

IUPAC3-fluoro-2-methylbenzo[b]xanthen-12-one
SMILESCc1cc2c(=O)c3cc4ccccc4cc3oc2cc1F
InChIInChI=1S/C18H11FO2/c1-10-6-13-17(9-15(10)19)21-16-8-12-5-3-2-4-11(12)7-14(16)18(13)20/h2-9H,1H3
InChIKeyHNWHJDTZIRFTBA-UHFFFAOYSA-N
MW278.28 g/mol
LogP4.55
Rot. Bonds

About 3-fluoro-2-methylbenzo[b]xanthen-12-one

3-fluoro-2-methylbenzo[b]xanthen-12-one (PubChem CID 135179036) has the molecular formula C18H11FO2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-fluoro-2-methylbenzo[b]xanthen-12-one.

Molecular Properties

Compound Name3-fluoro-2-methylbenzo[b]xanthen-12-one
PubChem CID135179036
Molecular FormulaC18H11FO2
Molecular Weight278.28 g/mol
Exact Mass278.07
IUPAC Name3-fluoro-2-methylbenzo[b]xanthen-12-one
SMILESCc1cc2c(=O)c3cc4ccccc4cc3oc2cc1F
InChIInChI=1S/C18H11FO2/c1-10-6-13-17(9-15(10)19)21-16-8-12-5-3-2-4-11(12)7-14(16)18(13)20/h2-9H,1H3
InChIKeyHNWHJDTZIRFTBA-UHFFFAOYSA-N
XLogP4.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.55
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylbenzo[b]xanthen-12-one?
The IUPAC name of 3-fluoro-2-methylbenzo[b]xanthen-12-one (CID 135179036) is 3-fluoro-2-methylbenzo[b]xanthen-12-one.
What is the SMILES notation for 3-fluoro-2-methylbenzo[b]xanthen-12-one?
The canonical SMILES for 3-fluoro-2-methylbenzo[b]xanthen-12-one is Cc1cc2c(=O)c3cc4ccccc4cc3oc2cc1F.
What is the InChIKey of 3-fluoro-2-methylbenzo[b]xanthen-12-one?
The InChIKey is HNWHJDTZIRFTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FO2/c1-10-6-13-17(9-15(10)19)21-16-8-12-5-3-2-4-11(12)7-14(16)18(13)20/h2-9H,1H3.
What are the key properties of 3-fluoro-2-methylbenzo[b]xanthen-12-one?
3-fluoro-2-methylbenzo[b]xanthen-12-one has a molecular weight of 278.28 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylbenzo[b]xanthen-12-one is sourced from PubChem (CID 135179036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).