1,9-dimethylfluorene-9-carbaldehyde

C16H14O — CID 173198715

IUPAC1,9-dimethylfluorene-9-carbaldehyde
SMILESCc1cccc2c1C(C)(C=O)c1ccccc1-2
InChIInChI=1S/C16H14O/c1-11-6-5-8-13-12-7-3-4-9-14(12)16(2,10-17)15(11)13/h3-10H,1-2H3
InChIKeyVJWCROJVFFQWPJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.48
Rot. Bonds1

About 1,9-dimethylfluorene-9-carbaldehyde

1,9-dimethylfluorene-9-carbaldehyde (PubChem CID 173198715) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,9-dimethylfluorene-9-carbaldehyde.

Molecular Properties

Compound Name1,9-dimethylfluorene-9-carbaldehyde
PubChem CID173198715
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name1,9-dimethylfluorene-9-carbaldehyde
SMILESCc1cccc2c1C(C)(C=O)c1ccccc1-2
InChIInChI=1S/C16H14O/c1-11-6-5-8-13-12-7-3-4-9-14(12)16(2,10-17)15(11)13/h3-10H,1-2H3
InChIKeyVJWCROJVFFQWPJ-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,9,9-trimethyl-1-(2-methylphenyl)fluorene
CID 145007121
9-methyl-9-(2-methylphenyl)fluorene
CID 14387659
2,9,9-trimethylfluoren-1-amine
CID 142604621
methane;1'-methylspiro[cyclopentane-1,9'-fluorene]
CID 144945934
2,2,4,9,9,10,10-heptamethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 177102350
2,3-dimethylindole-3-carbaldehyde
CID 174957699
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
9-methyl-9-[2-(2-methylphenyl)phenyl]fluorene;propane
CID 142961405
formic acid;1,2-xylene
CID 175948526
1-(9-ethoxy-1-methylfluoren-9-yl)butan-1-one
CID 160541929
1-(9-butoxy-1-methylfluoren-9-yl)ethanone
CID 174733642
1,9,9-trimethyl-7-naphthalen-1-ylfluorene
CID 156896552

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethylfluorene-9-carbaldehyde?
The IUPAC name of 1,9-dimethylfluorene-9-carbaldehyde (CID 173198715) is 1,9-dimethylfluorene-9-carbaldehyde.
What is the SMILES notation for 1,9-dimethylfluorene-9-carbaldehyde?
The canonical SMILES for 1,9-dimethylfluorene-9-carbaldehyde is Cc1cccc2c1C(C)(C=O)c1ccccc1-2.
What is the InChIKey of 1,9-dimethylfluorene-9-carbaldehyde?
The InChIKey is VJWCROJVFFQWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-11-6-5-8-13-12-7-3-4-9-14(12)16(2,10-17)15(11)13/h3-10H,1-2H3.
What are the key properties of 1,9-dimethylfluorene-9-carbaldehyde?
1,9-dimethylfluorene-9-carbaldehyde has a molecular weight of 222.29 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethylfluorene-9-carbaldehyde is sourced from PubChem (CID 173198715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).