(2-nonan-4-ylphenyl)-phenylmethanone

C22H28O — CID 54511244

IUPAC(2-nonan-4-ylphenyl)-phenylmethanone
SMILESCCCCCC(CCC)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C22H28O/c1-3-5-7-13-18(12-4-2)20-16-10-11-17-21(20)22(23)19-14-8-6-9-15-19/h6,8-11,14-18H,3-5,7,12-13H2,1-2H3
InChIKeyYJGQQGUGJAWUOI-UHFFFAOYSA-N
MW308.47 g/mol
LogP6.38
Rot. Bonds9

About (2-nonan-4-ylphenyl)-phenylmethanone

(2-nonan-4-ylphenyl)-phenylmethanone (PubChem CID 54511244) has the molecular formula C22H28O and a molecular weight of 308.47 g/mol. Its IUPAC name is (2-nonan-4-ylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-nonan-4-ylphenyl)-phenylmethanone
PubChem CID54511244
Molecular FormulaC22H28O
Molecular Weight308.47 g/mol
Exact Mass308.21
IUPAC Name(2-nonan-4-ylphenyl)-phenylmethanone
SMILESCCCCCC(CCC)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C22H28O/c1-3-5-7-13-18(12-4-2)20-16-10-11-17-21(20)22(23)19-14-8-6-9-15-19/h6,8-11,14-18H,3-5,7,12-13H2,1-2H3
InChIKeyYJGQQGUGJAWUOI-UHFFFAOYSA-N
XLogP6.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 56.38
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

[2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone
CID 19975082
[2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone
CID 54518256
2-icosan-9-ylbenzoate
CID 23205653
[2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone
CID 139607341
3-docosan-11-ylphthalic acid
CID 67127150
[2-(2-hydroxydodecyl)phenyl]-phenylmethanone
CID 54510367
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537
1-(2-benzoylphenyl)hexan-1-one
CID 158745155
3-(2-benzoylphenyl)butan-2-one
CID 69061840
phenyl-(2-tridecylphenyl)methanone
CID 159151783
2-pentadecan-6-ylphenol
CID 66865451
1,2,3-tri(nonan-4-yl)benzene
CID 57102647

Frequently Asked Questions

What is the IUPAC name of (2-nonan-4-ylphenyl)-phenylmethanone?
The IUPAC name of (2-nonan-4-ylphenyl)-phenylmethanone (CID 54511244) is (2-nonan-4-ylphenyl)-phenylmethanone.
What is the SMILES notation for (2-nonan-4-ylphenyl)-phenylmethanone?
The canonical SMILES for (2-nonan-4-ylphenyl)-phenylmethanone is CCCCCC(CCC)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (2-nonan-4-ylphenyl)-phenylmethanone?
The InChIKey is YJGQQGUGJAWUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O/c1-3-5-7-13-18(12-4-2)20-16-10-11-17-21(20)22(23)19-14-8-6-9-15-19/h6,8-11,14-18H,3-5,7,12-13H2,1-2H3.
What are the key properties of (2-nonan-4-ylphenyl)-phenylmethanone?
(2-nonan-4-ylphenyl)-phenylmethanone has a molecular weight of 308.47 g/mol, XLogP of 6.38, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nonan-4-ylphenyl)-phenylmethanone is sourced from PubChem (CID 54511244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).