ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid

C14H19O3P — CID 25215352

IUPACethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid
SMILESCCOP(=O)(O)C(=C=C(C)C)Cc1ccccc1
InChIInChI=1S/C14H19O3P/c1-4-17-18(15,16)14(10-12(2)3)11-13-8-6-5-7-9-13/h5-9H,4,11H2,1-3H3,(H,15,16)
InChIKeyYAMGHFKUXJDGEM-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.90
Rot. Bonds5

About ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid

ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid (PubChem CID 25215352) has the molecular formula C14H19O3P and a molecular weight of 266.28 g/mol. Its IUPAC name is ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid.

Molecular Properties

Compound Nameethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid
PubChem CID25215352
Molecular FormulaC14H19O3P
Molecular Weight266.28 g/mol
Exact Mass266.11
IUPAC Nameethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid
SMILESCCOP(=O)(O)C(=C=C(C)C)Cc1ccccc1
InChIInChI=1S/C14H19O3P/c1-4-17-18(15,16)14(10-12(2)3)11-13-8-6-5-7-9-13/h5-9H,4,11H2,1-3H3,(H,15,16)
InChIKeyYAMGHFKUXJDGEM-UHFFFAOYSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 7590
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ethyl 2-phenylacetate;hydrate
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benzyl dihydrogen phosphate;ethoxyethane
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[chloro(ethoxy)phosphoryl]methylbenzene
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2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
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1,1-bis(diethoxyphosphoryl)-2-phenylethanol
CID 10340585
ethyl (E)-3-diethoxyphosphoryl-4-phenylbut-2-enoate
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(2-phenylacetyl) propanoate
CID 91029268

Frequently Asked Questions

What is the IUPAC name of ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid?
The IUPAC name of ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid (CID 25215352) is ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid.
What is the SMILES notation for ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid?
The canonical SMILES for ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid is CCOP(=O)(O)C(=C=C(C)C)Cc1ccccc1.
What is the InChIKey of ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid?
The InChIKey is YAMGHFKUXJDGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19O3P/c1-4-17-18(15,16)14(10-12(2)3)11-13-8-6-5-7-9-13/h5-9H,4,11H2,1-3H3,(H,15,16).
What are the key properties of ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid?
ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid has a molecular weight of 266.28 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid is sourced from PubChem (CID 25215352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).