1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one

C20H32O2 — CID 22182131

IUPAC1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one
SMILESCCCCCCCCCCc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C20H32O2/c1-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)19(21)20(2,3)22/h13-16,22H,4-12H2,1-3H3
InChIKeyYSTPZICNKYUMQJ-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.32
Rot. Bonds11

About 1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one

1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 22182131) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one
PubChem CID22182131
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one
SMILESCCCCCCCCCCc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C20H32O2/c1-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)19(21)20(2,3)22/h13-16,22H,4-12H2,1-3H3
InChIKeyYSTPZICNKYUMQJ-UHFFFAOYSA-N
XLogP5.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hexylphenyl)-2,2-dimethylpropan-1-one
CID 59409785
4-ethyl-2-hydroxy-7-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-2-methylheptan-3-one
CID 118389519
2-bromo-2,2-difluoro-1-(4-pentylphenyl)ethanone
CID 146007782
2,2-difluoro-1-(4-hexylphenyl)ethanone
CID 146007053
2-methyl-1-(4-octadecylphenyl)propan-1-one
CID 14770317
4-(4-dodecylphenyl)benzoic acid
CID 3092136
ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
4-pentylbenzoyl bromide
CID 87349955
2-ethyl-1-(4-hexylphenyl)butan-1-one
CID 146007076
4-octylbenzamide;hydrochloride
CID 131740255
sodium 4-decylbenzoate
CID 68743346
(2R)-2-chloro-1-(4-hexylphenyl)propan-1-one
CID 2434866

Frequently Asked Questions

What is the IUPAC name of 1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one (CID 22182131) is 1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one is CCCCCCCCCCc1ccc(C(=O)C(C)(C)O)cc1.
What is the InChIKey of 1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is YSTPZICNKYUMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)19(21)20(2,3)22/h13-16,22H,4-12H2,1-3H3.
What are the key properties of 1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one?
1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 304.47 g/mol, XLogP of 5.32, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 22182131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).