1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one

C14H20O4 — CID 67978987

IUPAC1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
SMILESCCOCCOc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C14H20O4/c1-4-17-9-10-18-12-7-5-11(6-8-12)13(15)14(2,3)16/h5-8,16H,4,9-10H2,1-3H3
InChIKeyCSSHOMLYIYCQDE-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.06
Rot. Bonds7

About 1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one

1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 67978987) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
PubChem CID67978987
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
SMILESCCOCCOc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C14H20O4/c1-4-17-9-10-18-12-7-5-11(6-8-12)13(15)14(2,3)16/h5-8,16H,4,9-10H2,1-3H3
InChIKeyCSSHOMLYIYCQDE-UHFFFAOYSA-N
XLogP2.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one
CID 144680496
2-hydroxy-1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methylpropan-1-one
CID 22956687
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate
CID 59265217
2-hydroxy-1-[4-[2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyldisulfanyl]ethoxy]phenyl]-2-methylpropan-1-one
CID 162507967
ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate
CID 151465505
tris[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl] benzene-1,3,5-tricarboxylate
CID 135308581
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791
4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17112795
ethyl-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl]-dimethylazanium
CID 118135437
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 90092001

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one (CID 67978987) is 1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one is CCOCCOc1ccc(C(=O)C(C)(C)O)cc1.
What is the InChIKey of 1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is CSSHOMLYIYCQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-17-9-10-18-12-7-5-11(6-8-12)13(15)14(2,3)16/h5-8,16H,4,9-10H2,1-3H3.
What are the key properties of 1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one?
1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 252.31 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 67978987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).