7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene

C25H28O2 — CID 20754164

IUPAC7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene
SMILESCCCCCCC1c2cc(OC)ccc2-c2c1cc(OC)c1ccccc21
InChIInChI=1S/C25H28O2/c1-4-5-6-7-10-18-22-15-17(26-2)13-14-21(22)25-20-12-9-8-11-19(20)24(27-3)16-23(18)25/h8-9,11-16,18H,4-7,10H2,1-3H3
InChIKeyCVLIJDYBBUAJIR-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.94
Rot. Bonds7

About 7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene

7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene (PubChem CID 20754164) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene.

Molecular Properties

Compound Name7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene
PubChem CID20754164
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene
SMILESCCCCCCC1c2cc(OC)ccc2-c2c1cc(OC)c1ccccc21
InChIInChI=1S/C25H28O2/c1-4-5-6-7-10-18-22-15-17(26-2)13-14-21(22)25-20-12-9-8-11-19(20)24(27-3)16-23(18)25/h8-9,11-16,18H,4-7,10H2,1-3H3
InChIKeyCVLIJDYBBUAJIR-UHFFFAOYSA-N
XLogP6.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.94
H-Bond Donors ≤ 50
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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3-butyl-5-methoxy-1,3-dihydroindol-2-one
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1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
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1-decyl-2,4-dimethoxybenzene
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Frequently Asked Questions

What is the IUPAC name of 7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene?
The IUPAC name of 7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene (CID 20754164) is 7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene.
What is the SMILES notation for 7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene?
The canonical SMILES for 7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene is CCCCCCC1c2cc(OC)ccc2-c2c1cc(OC)c1ccccc21.
What is the InChIKey of 7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene?
The InChIKey is CVLIJDYBBUAJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-4-5-6-7-10-18-22-15-17(26-2)13-14-21(22)25-20-12-9-8-11-19(20)24(27-3)16-23(18)25/h8-9,11-16,18H,4-7,10H2,1-3H3.
What are the key properties of 7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene?
7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene has a molecular weight of 360.50 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexyl-5,9-dimethoxy-7H-benzo[c]fluorene is sourced from PubChem (CID 20754164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).