7-methoxy-9,9-dimethylfluorene-2-carbaldehyde

C17H16O2 — CID 59236603

IUPAC7-methoxy-9,9-dimethylfluorene-2-carbaldehyde
SMILESCOc1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2
InChIInChI=1S/C17H16O2/c1-17(2)15-8-11(10-18)4-6-13(15)14-7-5-12(19-3)9-16(14)17/h4-10H,1-3H3
InChIKeyMBWIVAKKKPBPLN-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.81
Rot. Bonds2

About 7-methoxy-9,9-dimethylfluorene-2-carbaldehyde

7-methoxy-9,9-dimethylfluorene-2-carbaldehyde (PubChem CID 59236603) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 7-methoxy-9,9-dimethylfluorene-2-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-9,9-dimethylfluorene-2-carbaldehyde
PubChem CID59236603
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name7-methoxy-9,9-dimethylfluorene-2-carbaldehyde
SMILESCOc1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2
InChIInChI=1S/C17H16O2/c1-17(2)15-8-11(10-18)4-6-13(15)14-7-5-12(19-3)9-16(14)17/h4-10H,1-3H3
InChIKeyMBWIVAKKKPBPLN-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-9,9-dimethylfluorene-2-carbaldehyde?
The IUPAC name of 7-methoxy-9,9-dimethylfluorene-2-carbaldehyde (CID 59236603) is 7-methoxy-9,9-dimethylfluorene-2-carbaldehyde.
What is the SMILES notation for 7-methoxy-9,9-dimethylfluorene-2-carbaldehyde?
The canonical SMILES for 7-methoxy-9,9-dimethylfluorene-2-carbaldehyde is COc1ccc2c(c1)C(C)(C)c1cc(C=O)ccc1-2.
What is the InChIKey of 7-methoxy-9,9-dimethylfluorene-2-carbaldehyde?
The InChIKey is MBWIVAKKKPBPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-17(2)15-8-11(10-18)4-6-13(15)14-7-5-12(19-3)9-16(14)17/h4-10H,1-3H3.
What are the key properties of 7-methoxy-9,9-dimethylfluorene-2-carbaldehyde?
7-methoxy-9,9-dimethylfluorene-2-carbaldehyde has a molecular weight of 252.31 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-9,9-dimethylfluorene-2-carbaldehyde is sourced from PubChem (CID 59236603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).