1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one

C17H13FO5 — CID 164598513

IUPAC1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)cc(F)c2c2ccc(O[C@H]3CCOC3)cc12
InChIInChI=1S/C17H13FO5/c18-14-5-9(19)6-15-16(14)12-2-1-10(7-13(12)17(20)23-15)22-11-3-4-21-8-11/h1-2,5-7,11,19H,3-4,8H2/t11-/m0/s1
InChIKeyHRKTTXFPMGAFGM-NSHDSACASA-N
MW316.28 g/mol
LogP2.96
Rot. Bonds2

About 1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one

1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one (PubChem CID 164598513) has the molecular formula C17H13FO5 and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one
PubChem CID164598513
Molecular FormulaC17H13FO5
Molecular Weight316.28 g/mol
Exact Mass316.07
IUPAC Name1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)cc(F)c2c2ccc(O[C@H]3CCOC3)cc12
InChIInChI=1S/C17H13FO5/c18-14-5-9(19)6-15-16(14)12-2-1-10(7-13(12)17(20)23-15)22-11-3-4-21-8-11/h1-2,5-7,11,19H,3-4,8H2/t11-/m0/s1
InChIKeyHRKTTXFPMGAFGM-NSHDSACASA-N
XLogP2.96
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one with MolForge

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

Launch Full Analysis

Related Compounds

3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one
CID 164597973
1,10-difluoro-3-hydroxy-8-(oxan-4-yloxy)benzo[c]chromen-6-one
CID 164598272
2-chloro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one
CID 164598650
1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one
CID 164598605
3-butoxy-8-hydroxybenzo[c]chromen-6-one;3-butoxy-8-(oxan-3-yloxy)benzo[c]chromen-6-one;3-hydroxy-8-(oxan-3-yloxy)benzo[c]chromen-6-one;methane;oxan-3-ol
CID 167616794
(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
CID 170235553
2-fluoro-4-(oxolan-3-yloxy)benzaldehyde
CID 142441431
3-(dimethylamino)-8-(oxan-4-yloxy)benzo[c]chromen-6-one;3-(methylamino)-8-(oxan-4-yloxy)benzo[c]chromen-6-one
CID 164598391
8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one
CID 167646162
3-methoxy-5-[(3S)-oxolan-3-yl]oxyphenol
CID 170566550
3-(3-bromo-4-fluorophenoxy)oxane
CID 107134793
2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline
CID 166611371

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one?
The IUPAC name of 1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one (CID 164598513) is 1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one.
What is the SMILES notation for 1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one?
The canonical SMILES for 1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one is O=c1oc2cc(O)cc(F)c2c2ccc(O[C@H]3CCOC3)cc12.
What is the InChIKey of 1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one?
The InChIKey is HRKTTXFPMGAFGM-NSHDSACASA-N. The full InChI is InChI=1S/C17H13FO5/c18-14-5-9(19)6-15-16(14)12-2-1-10(7-13(12)17(20)23-15)22-11-3-4-21-8-11/h1-2,5-7,11,19H,3-4,8H2/t11-/m0/s1.
What are the key properties of 1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one?
1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one has a molecular weight of 316.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one is sourced from PubChem (CID 164598513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).