5-octoxy-7H-benzo[c]fluoren-7-ol

C25H28O2 — CID 51059977

IUPAC5-octoxy-7H-benzo[c]fluoren-7-ol
SMILESCCCCCCCCOc1cc2c(c3ccccc13)-c1ccccc1C2O
InChIInChI=1S/C25H28O2/c1-2-3-4-5-6-11-16-27-23-17-22-24(19-13-8-7-12-18(19)23)20-14-9-10-15-21(20)25(22)26/h7-10,12-15,17,25-26H,2-6,11,16H2,1H3
InChIKeyOUKKKDJSKQOGDI-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.64
Rot. Bonds8

About 5-octoxy-7H-benzo[c]fluoren-7-ol

5-octoxy-7H-benzo[c]fluoren-7-ol (PubChem CID 51059977) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 5-octoxy-7H-benzo[c]fluoren-7-ol.

Molecular Properties

Compound Name5-octoxy-7H-benzo[c]fluoren-7-ol
PubChem CID51059977
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name5-octoxy-7H-benzo[c]fluoren-7-ol
SMILESCCCCCCCCOc1cc2c(c3ccccc13)-c1ccccc1C2O
InChIInChI=1S/C25H28O2/c1-2-3-4-5-6-11-16-27-23-17-22-24(19-13-8-7-12-18(19)23)20-14-9-10-15-21(20)25(22)26/h7-10,12-15,17,25-26H,2-6,11,16H2,1H3
InChIKeyOUKKKDJSKQOGDI-UHFFFAOYSA-N
XLogP6.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 246206
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CID 10911373
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CID 318597
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CID 14626804
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CID 10174128
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CID 44450360
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CID 71717
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CID 111623
CID 111623

Frequently Asked Questions

What is the IUPAC name of 5-octoxy-7H-benzo[c]fluoren-7-ol?
The IUPAC name of 5-octoxy-7H-benzo[c]fluoren-7-ol (CID 51059977) is 5-octoxy-7H-benzo[c]fluoren-7-ol.
What is the SMILES notation for 5-octoxy-7H-benzo[c]fluoren-7-ol?
The canonical SMILES for 5-octoxy-7H-benzo[c]fluoren-7-ol is CCCCCCCCOc1cc2c(c3ccccc13)-c1ccccc1C2O.
What is the InChIKey of 5-octoxy-7H-benzo[c]fluoren-7-ol?
The InChIKey is OUKKKDJSKQOGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-2-3-4-5-6-11-16-27-23-17-22-24(19-13-8-7-12-18(19)23)20-14-9-10-15-21(20)25(22)26/h7-10,12-15,17,25-26H,2-6,11,16H2,1H3.
What are the key properties of 5-octoxy-7H-benzo[c]fluoren-7-ol?
5-octoxy-7H-benzo[c]fluoren-7-ol has a molecular weight of 360.50 g/mol, XLogP of 6.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octoxy-7H-benzo[c]fluoren-7-ol is sourced from PubChem (CID 51059977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).