1,8-dimethyl-9H-fluorene-9-carbaldehyde

C16H14O — CID 174591685

IUPAC1,8-dimethyl-9H-fluorene-9-carbaldehyde
SMILESCc1cccc2c1C(C=O)c1c(C)cccc1-2
InChIInChI=1S/C16H14O/c1-10-5-3-7-12-13-8-4-6-11(2)16(13)14(9-17)15(10)12/h3-9,14H,1-2H3
InChIKeyACOLZTCSLMQSDN-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.61
Rot. Bonds1

About 1,8-dimethyl-9H-fluorene-9-carbaldehyde

1,8-dimethyl-9H-fluorene-9-carbaldehyde (PubChem CID 174591685) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,8-dimethyl-9H-fluorene-9-carbaldehyde.

Molecular Properties

Compound Name1,8-dimethyl-9H-fluorene-9-carbaldehyde
PubChem CID174591685
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name1,8-dimethyl-9H-fluorene-9-carbaldehyde
SMILESCc1cccc2c1C(C=O)c1c(C)cccc1-2
InChIInChI=1S/C16H14O/c1-10-5-3-7-12-13-8-4-6-11(2)16(13)14(9-17)15(10)12/h3-9,14H,1-2H3
InChIKeyACOLZTCSLMQSDN-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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

5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde
CID 105428926
9-ethyl-1-methyl-9H-fluorene
CID 15584367
1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene
CID 13306900
1,9-dimethyl-9H-fluorene
CID 28227
(1-methyl-9H-fluoren-9-yl)methyl carbonochloridate
CID 19978427
9H-fluorene-9-carbaldehyde
CID 11074281
3,4-dimethyl-2,3-dihydroisoindol-1-one
CID 56636550
5-(1-hydroxyethyl)-3-(2-methylphenyl)-4H-chromene-4-carbaldehyde
CID 174707698
(9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde
CID 129386230
2,6-dimethylbenzaldehyde
CID 159545887
3-iodo-4-methyl-2,3-dihydroisoindol-1-one
CID 143900412
(1-methyl-9H-fluoren-9-yl)boronic acid
CID 54300032

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-9H-fluorene-9-carbaldehyde?
The IUPAC name of 1,8-dimethyl-9H-fluorene-9-carbaldehyde (CID 174591685) is 1,8-dimethyl-9H-fluorene-9-carbaldehyde.
What is the SMILES notation for 1,8-dimethyl-9H-fluorene-9-carbaldehyde?
The canonical SMILES for 1,8-dimethyl-9H-fluorene-9-carbaldehyde is Cc1cccc2c1C(C=O)c1c(C)cccc1-2.
What is the InChIKey of 1,8-dimethyl-9H-fluorene-9-carbaldehyde?
The InChIKey is ACOLZTCSLMQSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-10-5-3-7-12-13-8-4-6-11(2)16(13)14(9-17)15(10)12/h3-9,14H,1-2H3.
What are the key properties of 1,8-dimethyl-9H-fluorene-9-carbaldehyde?
1,8-dimethyl-9H-fluorene-9-carbaldehyde has a molecular weight of 222.29 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-9H-fluorene-9-carbaldehyde is sourced from PubChem (CID 174591685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).