4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol

C24H19FO2 — CID 127031151

IUPAC4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(/C=C3\c4ccccc4COc4cc(F)ccc43)cccc21
InChIInChI=1S/C24H19FO2/c25-17-8-9-21-22(12-15-5-3-7-20-19(15)10-11-23(20)26)18-6-2-1-4-16(18)14-27-24(21)13-17/h1-9,12-13,23,26H,10-11,14H2/b22-12+
InChIKeyUOJKBHZFSVNGQE-WSDLNYQXSA-N
MW358.41 g/mol
LogP5.29
Rot. Bonds1

About 4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol

4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 127031151) has the molecular formula C24H19FO2 and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID127031151
Molecular FormulaC24H19FO2
Molecular Weight358.41 g/mol
Exact Mass358.14
IUPAC Name4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(/C=C3\c4ccccc4COc4cc(F)ccc43)cccc21
InChIInChI=1S/C24H19FO2/c25-17-8-9-21-22(12-15-5-3-7-20-19(15)10-11-23(20)26)18-6-2-1-4-16(18)14-27-24(21)13-17/h1-9,12-13,23,26H,10-11,14H2/b22-12+
InChIKeyUOJKBHZFSVNGQE-WSDLNYQXSA-N
XLogP5.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.41
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol with MolForge

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Related Compounds

(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 122506276
6,11-Dihydro-11-hydroxydibenz[b,e]oxepin-2-ethanol
CID 12330037
2-(2-Methoxyphenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492789
2-Cyclohexyloxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492931
2-Phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59493195
7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3,3-tetrafluoro-2,3-dihydro-1H-inden-1-ol
CID 146523966
5-(Octyloxy)-7H-benzo(C)fluoren-7-OL
CID 51059977
11-Tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene
CID 146162187
9-phenoxy-9H-fluorene
CID 1529545
9H-Fluoren-9-ol, 9-(2-methoxyphenyl)-
CID 10565284
3-Phenyl-7-[3-(trifluoromethyl)phenoxy]-1-indanol
CID 2765455
[2-(9H-fluoren-9-yloxy)-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 4042958

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol (CID 127031151) is 4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol is OC1CCc2c(/C=C3\c4ccccc4COc4cc(F)ccc43)cccc21.
What is the InChIKey of 4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is UOJKBHZFSVNGQE-WSDLNYQXSA-N. The full InChI is InChI=1S/C24H19FO2/c25-17-8-9-21-22(12-15-5-3-7-20-19(15)10-11-23(20)26)18-6-2-1-4-16(18)14-27-24(21)13-17/h1-9,12-13,23,26H,10-11,14H2/b22-12+.
What are the key properties of 4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol?
4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 358.41 g/mol, XLogP of 5.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 127031151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).