[4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid

C17H19O6P — CID 174541944

IUPAC[4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid
SMILESCCOc1cc(OC)ccc1C(=O)c1ccc(CP(=O)(O)O)cc1
InChIInChI=1S/C17H19O6P/c1-3-23-16-10-14(22-2)8-9-15(16)17(18)13-6-4-12(5-7-13)11-24(19,20)21/h4-10H,3,11H2,1-2H3,(H2,19,20,21)
InChIKeyZIMRAOSDAGIURR-UHFFFAOYSA-N
MW350.31 g/mol
LogP3.00
Rot. Bonds7

About [4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid

[4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid (PubChem CID 174541944) has the molecular formula C17H19O6P and a molecular weight of 350.31 g/mol. Its IUPAC name is [4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid.

Molecular Properties

Compound Name[4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid
PubChem CID174541944
Molecular FormulaC17H19O6P
Molecular Weight350.31 g/mol
Exact Mass350.09
IUPAC Name[4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid
SMILESCCOc1cc(OC)ccc1C(=O)c1ccc(CP(=O)(O)O)cc1
InChIInChI=1S/C17H19O6P/c1-3-23-16-10-14(22-2)8-9-15(16)17(18)13-6-4-12(5-7-13)11-24(19,20)21/h4-10H,3,11H2,1-2H3,(H2,19,20,21)
InChIKeyZIMRAOSDAGIURR-UHFFFAOYSA-N
XLogP3.00
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
ethyl (2S)-3-[4-[3-[4-(2,4-dimethoxybenzoyl)phenoxy]propoxy]phenyl]-2-methoxypropanoate
CID 58823037
[4-(bromomethyl)phenyl]-[2-(1-hydroxyethoxy)-4-methoxyphenyl]methanone
CID 130383088
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one
CID 117319761
(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694184
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanone
CID 3243415
N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide
CID 4025593
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056
5-methoxy-2-[4-(methoxymethyl)benzoyl]benzoic acid
CID 69214250
(4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone
CID 91741601

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid?
The IUPAC name of [4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid (CID 174541944) is [4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid.
What is the SMILES notation for [4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid?
The canonical SMILES for [4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid is CCOc1cc(OC)ccc1C(=O)c1ccc(CP(=O)(O)O)cc1.
What is the InChIKey of [4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid?
The InChIKey is ZIMRAOSDAGIURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O6P/c1-3-23-16-10-14(22-2)8-9-15(16)17(18)13-6-4-12(5-7-13)11-24(19,20)21/h4-10H,3,11H2,1-2H3,(H2,19,20,21).
What are the key properties of [4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid?
[4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid has a molecular weight of 350.31 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxy-4-methoxybenzoyl)phenyl]methylphosphonic acid is sourced from PubChem (CID 174541944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).