formaldehyde;1-(4-propylphenyl)butan-1-one

C14H20O2 — CID 143969560

IUPACformaldehyde;1-(4-propylphenyl)butan-1-one
SMILESC=O.CCCC(=O)c1ccc(CCC)cc1
InChIInChI=1S/C13H18O.CH2O/c1-3-5-11-7-9-12(10-8-11)13(14)6-4-2;1-2/h7-10H,3-6H2,1-2H3;1H2
InChIKeyUWXNGUQEUPTLJN-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.44
Rot. Bonds5

About formaldehyde;1-(4-propylphenyl)butan-1-one

formaldehyde;1-(4-propylphenyl)butan-1-one (PubChem CID 143969560) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is formaldehyde;1-(4-propylphenyl)butan-1-one.

Molecular Properties

Compound Nameformaldehyde;1-(4-propylphenyl)butan-1-one
PubChem CID143969560
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nameformaldehyde;1-(4-propylphenyl)butan-1-one
SMILESC=O.CCCC(=O)c1ccc(CCC)cc1
InChIInChI=1S/C13H18O.CH2O/c1-3-5-11-7-9-12(10-8-11)13(14)6-4-2;1-2/h7-10H,3-6H2,1-2H3;1H2
InChIKeyUWXNGUQEUPTLJN-UHFFFAOYSA-N
XLogP3.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze formaldehyde;1-(4-propylphenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-propylphenyl)decan-1-one
CID 65449493
1-[4-(4-propylphenyl)phenyl]pentan-1-one
CID 142331606
methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 82116427
3-methylsulfanyl-1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 146007939
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839
N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 9393708
3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one
CID 94273024
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
ethane;4-propylbenzoic acid
CID 91047964
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-(4-propylphenyl)butan-1-one?
The IUPAC name of formaldehyde;1-(4-propylphenyl)butan-1-one (CID 143969560) is formaldehyde;1-(4-propylphenyl)butan-1-one.
What is the SMILES notation for formaldehyde;1-(4-propylphenyl)butan-1-one?
The canonical SMILES for formaldehyde;1-(4-propylphenyl)butan-1-one is C=O.CCCC(=O)c1ccc(CCC)cc1.
What is the InChIKey of formaldehyde;1-(4-propylphenyl)butan-1-one?
The InChIKey is UWXNGUQEUPTLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.CH2O/c1-3-5-11-7-9-12(10-8-11)13(14)6-4-2;1-2/h7-10H,3-6H2,1-2H3;1H2.
What are the key properties of formaldehyde;1-(4-propylphenyl)butan-1-one?
formaldehyde;1-(4-propylphenyl)butan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-(4-propylphenyl)butan-1-one is sourced from PubChem (CID 143969560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).