9-methoxy-11H-benzo[a]fluorene

C18H14O — CID 13401823

IUPAC9-methoxy-11H-benzo[a]fluorene
SMILESCOc1ccc2c(c1)Cc1c-2ccc2ccccc12
InChIInChI=1S/C18H14O/c1-19-14-7-9-16-13(10-14)11-18-15-5-3-2-4-12(15)6-8-17(16)18/h2-10H,11H2,1H3
InChIKeyVKEISKRLQPFONR-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.42
Rot. Bonds1

About 9-methoxy-11H-benzo[a]fluorene

9-methoxy-11H-benzo[a]fluorene (PubChem CID 13401823) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 9-methoxy-11H-benzo[a]fluorene.

Molecular Properties

Compound Name9-methoxy-11H-benzo[a]fluorene
PubChem CID13401823
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name9-methoxy-11H-benzo[a]fluorene
SMILESCOc1ccc2c(c1)Cc1c-2ccc2ccccc12
InChIInChI=1S/C18H14O/c1-19-14-7-9-16-13(10-14)11-18-15-5-3-2-4-12(15)6-8-17(16)18/h2-10H,11H2,1H3
InChIKeyVKEISKRLQPFONR-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-11H-benzo[a]fluorene?
The IUPAC name of 9-methoxy-11H-benzo[a]fluorene (CID 13401823) is 9-methoxy-11H-benzo[a]fluorene.
What is the SMILES notation for 9-methoxy-11H-benzo[a]fluorene?
The canonical SMILES for 9-methoxy-11H-benzo[a]fluorene is COc1ccc2c(c1)Cc1c-2ccc2ccccc12.
What is the InChIKey of 9-methoxy-11H-benzo[a]fluorene?
The InChIKey is VKEISKRLQPFONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-19-14-7-9-16-13(10-14)11-18-15-5-3-2-4-12(15)6-8-17(16)18/h2-10H,11H2,1H3.
What are the key properties of 9-methoxy-11H-benzo[a]fluorene?
9-methoxy-11H-benzo[a]fluorene has a molecular weight of 246.31 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-11H-benzo[a]fluorene is sourced from PubChem (CID 13401823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).