2-ethyl-4aH-benzo[b]fluorene

C19H16 — CID 18538172

IUPAC2-ethyl-4aH-benzo[b]fluorene
SMILESCCC1=CC2=Cc3cc4ccccc4cc3C2C=C1
InChIInChI=1S/C19H16/c1-2-13-7-8-18-16(9-13)11-17-10-14-5-3-4-6-15(14)12-19(17)18/h3-12,18H,2H2,1H3
InChIKeyOKIPUFJGRPNXIW-UHFFFAOYSA-N
MW244.34 g/mol
LogP5.23
Rot. Bonds1

About 2-ethyl-4aH-benzo[b]fluorene

2-ethyl-4aH-benzo[b]fluorene (PubChem CID 18538172) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-ethyl-4aH-benzo[b]fluorene.

Molecular Properties

Compound Name2-ethyl-4aH-benzo[b]fluorene
PubChem CID18538172
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name2-ethyl-4aH-benzo[b]fluorene
SMILESCCC1=CC2=Cc3cc4ccccc4cc3C2C=C1
InChIInChI=1S/C19H16/c1-2-13-7-8-18-16(9-13)11-17-10-14-5-3-4-6-15(14)12-19(17)18/h3-12,18H,2H2,1H3
InChIKeyOKIPUFJGRPNXIW-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.34
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4aH-benzo[b]fluorene?
The IUPAC name of 2-ethyl-4aH-benzo[b]fluorene (CID 18538172) is 2-ethyl-4aH-benzo[b]fluorene.
What is the SMILES notation for 2-ethyl-4aH-benzo[b]fluorene?
The canonical SMILES for 2-ethyl-4aH-benzo[b]fluorene is CCC1=CC2=Cc3cc4ccccc4cc3C2C=C1.
What is the InChIKey of 2-ethyl-4aH-benzo[b]fluorene?
The InChIKey is OKIPUFJGRPNXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-2-13-7-8-18-16(9-13)11-17-10-14-5-3-4-6-15(14)12-19(17)18/h3-12,18H,2H2,1H3.
What are the key properties of 2-ethyl-4aH-benzo[b]fluorene?
2-ethyl-4aH-benzo[b]fluorene has a molecular weight of 244.34 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4aH-benzo[b]fluorene is sourced from PubChem (CID 18538172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).