1-[4-(2-methylpropyl)phenyl]decan-1-one

C20H32O — CID 65449495

IUPAC1-[4-(2-methylpropyl)phenyl]decan-1-one
SMILESCCCCCCCCCC(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H32O/c1-4-5-6-7-8-9-10-11-20(21)19-14-12-18(13-15-19)16-17(2)3/h12-15,17H,4-11,16H2,1-3H3
InChIKeyKZNPBZWMLFDSHX-UHFFFAOYSA-N
MW288.47 g/mol
LogP6.21
Rot. Bonds11

About 1-[4-(2-methylpropyl)phenyl]decan-1-one

1-[4-(2-methylpropyl)phenyl]decan-1-one (PubChem CID 65449495) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]decan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]decan-1-one
PubChem CID65449495
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name1-[4-(2-methylpropyl)phenyl]decan-1-one
SMILESCCCCCCCCCC(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H32O/c1-4-5-6-7-8-9-10-11-20(21)19-14-12-18(13-15-19)16-17(2)3/h12-15,17H,4-11,16H2,1-3H3
InChIKeyKZNPBZWMLFDSHX-UHFFFAOYSA-N
XLogP6.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-[4-[(4-octanoylphenyl)methyl]phenyl]octan-1-one
CID 139210791
1-(4-propylphenyl)decan-1-one
CID 65449493
1-[3-(2-methylpropyl)phenyl]hexan-1-one
CID 115812383
1-[4-(aminomethyl)phenyl]undecan-1-one
CID 116548206
1-[4-(2-methylpropyl)phenyl]-3-sulfanylpropan-1-one
CID 94684203
1-[4-[2,3,4,5,6-pentakis(4-dodecanoylphenyl)phenyl]phenyl]dodecan-1-one
CID 101036132
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
1-[4-(1-aminoethyl)phenyl]octan-1-one
CID 67603381
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]decan-1-one?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]decan-1-one (CID 65449495) is 1-[4-(2-methylpropyl)phenyl]decan-1-one.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]decan-1-one?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]decan-1-one is CCCCCCCCCC(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]decan-1-one?
The InChIKey is KZNPBZWMLFDSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-4-5-6-7-8-9-10-11-20(21)19-14-12-18(13-15-19)16-17(2)3/h12-15,17H,4-11,16H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]decan-1-one?
1-[4-(2-methylpropyl)phenyl]decan-1-one has a molecular weight of 288.47 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]decan-1-one is sourced from PubChem (CID 65449495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).