(2-ethylphenyl)methylphosphonic acid

C9H13O3P — CID 70598773

IUPAC(2-ethylphenyl)methylphosphonic acid
SMILESCCc1ccccc1CP(=O)(O)O
InChIInChI=1S/C9H13O3P/c1-2-8-5-3-4-6-9(8)7-13(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
InChIKeyWJLAQJJEZWHZEF-UHFFFAOYSA-N
MW200.17 g/mol
LogP1.93
Rot. Bonds3

About (2-ethylphenyl)methylphosphonic acid

(2-ethylphenyl)methylphosphonic acid (PubChem CID 70598773) has the molecular formula C9H13O3P and a molecular weight of 200.17 g/mol. Its IUPAC name is (2-ethylphenyl)methylphosphonic acid.

Molecular Properties

Compound Name(2-ethylphenyl)methylphosphonic acid
PubChem CID70598773
Molecular FormulaC9H13O3P
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name(2-ethylphenyl)methylphosphonic acid
SMILESCCc1ccccc1CP(=O)(O)O
InChIInChI=1S/C9H13O3P/c1-2-8-5-3-4-6-9(8)7-13(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
InChIKeyWJLAQJJEZWHZEF-UHFFFAOYSA-N
XLogP1.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(phosphonomethyl)phenyl]acetic acid
CID 19803397
(2-chlorophenyl)methylphosphonic acid
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(2-fluorophenyl)methylphosphonic acid
CID 14926086
[2-ethyl-4-(phosphonomethyl)phenyl]methylphosphonic acid
CID 88617789
[5-(phosphonomethyl)naphthalen-1-yl]methylphosphonic acid
CID 102099727
1,2-diethylbenzene;hydrobromide
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carbonic acid;1,2-diethylbenzene
CID 89388803
[2-(ethoxymethyl)-3-(phosphonomethyl)phenyl]methylphosphonic acid
CID 58454956
(2-dodecan-5-ylphenyl)methylphosphonic acid
CID 23341409
(1-ethoxynaphthalen-2-yl)methylphosphonic acid
CID 152656147
1,2-diethylbenzene;silyloxysilane
CID 158803052
1,2-diethylbenzene;propa-1,2-diene
CID 174831347

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)methylphosphonic acid?
The IUPAC name of (2-ethylphenyl)methylphosphonic acid (CID 70598773) is (2-ethylphenyl)methylphosphonic acid.
What is the SMILES notation for (2-ethylphenyl)methylphosphonic acid?
The canonical SMILES for (2-ethylphenyl)methylphosphonic acid is CCc1ccccc1CP(=O)(O)O.
What is the InChIKey of (2-ethylphenyl)methylphosphonic acid?
The InChIKey is WJLAQJJEZWHZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O3P/c1-2-8-5-3-4-6-9(8)7-13(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12).
What are the key properties of (2-ethylphenyl)methylphosphonic acid?
(2-ethylphenyl)methylphosphonic acid has a molecular weight of 200.17 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)methylphosphonic acid is sourced from PubChem (CID 70598773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).