4-methylfluoranthene-8-carbaldehyde

C18H12O — CID 142154566

IUPAC4-methylfluoranthene-8-carbaldehyde
SMILESCc1ccc2c3c(cccc13)-c1ccc(C=O)cc1-2
InChIInChI=1S/C18H12O/c1-11-5-7-16-17-9-12(10-19)6-8-14(17)15-4-2-3-13(11)18(15)16/h2-10H,1H3
InChIKeyYNLKTWZJAIEEIZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP4.61
Rot. Bonds1

About 4-methylfluoranthene-8-carbaldehyde

4-methylfluoranthene-8-carbaldehyde (PubChem CID 142154566) has the molecular formula C18H12O and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-methylfluoranthene-8-carbaldehyde.

Molecular Properties

Compound Name4-methylfluoranthene-8-carbaldehyde
PubChem CID142154566
Molecular FormulaC18H12O
Molecular Weight244.29 g/mol
Exact Mass244.09
IUPAC Name4-methylfluoranthene-8-carbaldehyde
SMILESCc1ccc2c3c(cccc13)-c1ccc(C=O)cc1-2
InChIInChI=1S/C18H12O/c1-11-5-7-16-17-9-12(10-19)6-8-14(17)15-4-2-3-13(11)18(15)16/h2-10H,1H3
InChIKeyYNLKTWZJAIEEIZ-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 54.61
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

3-ethylfluoranthene-8-carbaldehyde
CID 86122786
5-methylacenaphthylene-1,2-dione
CID 13004585
3,4-bis(2-phenylphenyl)benzaldehyde
CID 141272209
3,7,9-trimethylfluoranthene
CID 123365780
4-(2,3-dimethylphenyl)-3-fluorobenzaldehyde
CID 81446712
1-aminoethenethiol;bis(3-methylfluoranthene);thiohydroxylamine
CID 143570068
4-(2,3-dichlorophenyl)-3-methylbenzaldehyde
CID 81448115
3-(3-hydroxyphenyl)-4-methylbenzaldehyde
CID 39231630
4-(4-chloronaphthalen-1-yl)-3-methylbenzaldehyde
CID 81448180
6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 59514413
4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651197
15-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
CID 140872789

Frequently Asked Questions

What is the IUPAC name of 4-methylfluoranthene-8-carbaldehyde?
The IUPAC name of 4-methylfluoranthene-8-carbaldehyde (CID 142154566) is 4-methylfluoranthene-8-carbaldehyde.
What is the SMILES notation for 4-methylfluoranthene-8-carbaldehyde?
The canonical SMILES for 4-methylfluoranthene-8-carbaldehyde is Cc1ccc2c3c(cccc13)-c1ccc(C=O)cc1-2.
What is the InChIKey of 4-methylfluoranthene-8-carbaldehyde?
The InChIKey is YNLKTWZJAIEEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O/c1-11-5-7-16-17-9-12(10-19)6-8-14(17)15-4-2-3-13(11)18(15)16/h2-10H,1H3.
What are the key properties of 4-methylfluoranthene-8-carbaldehyde?
4-methylfluoranthene-8-carbaldehyde has a molecular weight of 244.29 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylfluoranthene-8-carbaldehyde is sourced from PubChem (CID 142154566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).