7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene

C17H14BrFO3 — CID 67383282

IUPAC7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene
SMILESCOCC=C1c2cc(Br)ccc2Oc2c(F)cc(OC)cc21
InChIInChI=1S/C17H14BrFO3/c1-20-6-5-12-13-7-10(18)3-4-16(13)22-17-14(12)8-11(21-2)9-15(17)19/h3-5,7-9H,6H2,1-2H3
InChIKeyAUCVJYUIMUGPEQ-UHFFFAOYSA-N
MW365.20 g/mol
LogP4.78
Rot. Bonds3

About 7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene

7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene (PubChem CID 67383282) has the molecular formula C17H14BrFO3 and a molecular weight of 365.20 g/mol. Its IUPAC name is 7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene.

Molecular Properties

Compound Name7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene
PubChem CID67383282
Molecular FormulaC17H14BrFO3
Molecular Weight365.20 g/mol
Exact Mass364.01
IUPAC Name7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene
SMILESCOCC=C1c2cc(Br)ccc2Oc2c(F)cc(OC)cc21
InChIInChI=1S/C17H14BrFO3/c1-20-6-5-12-13-7-10(18)3-4-16(13)22-17-14(12)8-11(21-2)9-15(17)19/h3-5,7-9H,6H2,1-2H3
InChIKeyAUCVJYUIMUGPEQ-UHFFFAOYSA-N
XLogP4.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene?
The IUPAC name of 7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene (CID 67383282) is 7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene.
What is the SMILES notation for 7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene?
The canonical SMILES for 7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene is COCC=C1c2cc(Br)ccc2Oc2c(F)cc(OC)cc21.
What is the InChIKey of 7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene?
The InChIKey is AUCVJYUIMUGPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFO3/c1-20-6-5-12-13-7-10(18)3-4-16(13)22-17-14(12)8-11(21-2)9-15(17)19/h3-5,7-9H,6H2,1-2H3.
What are the key properties of 7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene?
7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene has a molecular weight of 365.20 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-fluoro-2-methoxy-9-(2-methoxyethylidene)xanthene is sourced from PubChem (CID 67383282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).