1-(4-methoxyphenyl)ethenylphosphonic acid

C9H11O4P — CID 175025880

IUPAC1-(4-methoxyphenyl)ethenylphosphonic acid
SMILESC=C(c1ccc(OC)cc1)P(=O)(O)O
InChIInChI=1S/C9H11O4P/c1-7(14(10,11)12)8-3-5-9(13-2)6-4-8/h3-6H,1H2,2H3,(H2,10,11,12)
InChIKeyQJDVJWWBEIVSIZ-UHFFFAOYSA-N
MW214.16 g/mol
LogP1.84
Rot. Bonds3

About 1-(4-methoxyphenyl)ethenylphosphonic acid

1-(4-methoxyphenyl)ethenylphosphonic acid (PubChem CID 175025880) has the molecular formula C9H11O4P and a molecular weight of 214.16 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)ethenylphosphonic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)ethenylphosphonic acid
PubChem CID175025880
Molecular FormulaC9H11O4P
Molecular Weight214.16 g/mol
Exact Mass214.04
IUPAC Name1-(4-methoxyphenyl)ethenylphosphonic acid
SMILESC=C(c1ccc(OC)cc1)P(=O)(O)O
InChIInChI=1S/C9H11O4P/c1-7(14(10,11)12)8-3-5-9(13-2)6-4-8/h3-6H,1H2,2H3,(H2,10,11,12)
InChIKeyQJDVJWWBEIVSIZ-UHFFFAOYSA-N
XLogP1.84
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
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CID 18801166
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(4-methoxyphenoxy)phosphonamidic acid
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1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
CID 100960960
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CID 169086546
CID 12714057
CID 12714057
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
4-methoxybenzoic acid;silver
CID 140722019
(4-methoxybenzoyl)-λ2-stannane
CID 174742034
4-methoxybenzoic acid;hydrobromide
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1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)ethenylphosphonic acid?
The IUPAC name of 1-(4-methoxyphenyl)ethenylphosphonic acid (CID 175025880) is 1-(4-methoxyphenyl)ethenylphosphonic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)ethenylphosphonic acid?
The canonical SMILES for 1-(4-methoxyphenyl)ethenylphosphonic acid is C=C(c1ccc(OC)cc1)P(=O)(O)O.
What is the InChIKey of 1-(4-methoxyphenyl)ethenylphosphonic acid?
The InChIKey is QJDVJWWBEIVSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O4P/c1-7(14(10,11)12)8-3-5-9(13-2)6-4-8/h3-6H,1H2,2H3,(H2,10,11,12).
What are the key properties of 1-(4-methoxyphenyl)ethenylphosphonic acid?
1-(4-methoxyphenyl)ethenylphosphonic acid has a molecular weight of 214.16 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)ethenylphosphonic acid is sourced from PubChem (CID 175025880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).