(4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid

C22H27O4P — CID 146245379

IUPAC(4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid
SMILESC=CC(=O)OCCCCCOc1ccc(P(O)c2ccc(CC)cc2)cc1
InChIInChI=1S/C22H27O4P/c1-3-18-8-12-20(13-9-18)27(24)21-14-10-19(11-15-21)25-16-6-5-7-17-26-22(23)4-2/h4,8-15,24H,2-3,5-7,16-17H2,1H3
InChIKeyAJNGFTBCZYNHLD-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.87
Rot. Bonds11

About (4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid

(4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid (PubChem CID 146245379) has the molecular formula C22H27O4P and a molecular weight of 386.43 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid
PubChem CID146245379
Molecular FormulaC22H27O4P
Molecular Weight386.43 g/mol
Exact Mass386.16
IUPAC Name(4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid
SMILESC=CC(=O)OCCCCCOc1ccc(P(O)c2ccc(CC)cc2)cc1
InChIInChI=1S/C22H27O4P/c1-3-18-8-12-20(13-9-18)27(24)21-14-10-19(11-15-21)25-16-6-5-7-17-26-22(23)4-2/h4,8-15,24H,2-3,5-7,16-17H2,1H3
InChIKeyAJNGFTBCZYNHLD-UHFFFAOYSA-N
XLogP3.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate
CID 91409634
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
6-(4-formylphenoxy)hexyl prop-2-enoate;methanol
CID 145059918
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 10165717
[4-[[4-(6-prop-2-enoyloxyhexoxy)phenoxy]methyl]phenyl] 4-hexoxybenzoate
CID 59386494
[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methoxy]phenyl] 4-hexoxybenzoate
CID 59386488
[4-[(4-hexoxyphenoxy)methyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 59386505
12-(4-formylphenoxy)dodecyl prop-2-enoate
CID 174341299
4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
methyl 5-(4-ethylbenzoyl)oxy-2-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoate
CID 154605424
[4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 158853417

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid?
The IUPAC name of (4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid (CID 146245379) is (4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid.
What is the SMILES notation for (4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid?
The canonical SMILES for (4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid is C=CC(=O)OCCCCCOc1ccc(P(O)c2ccc(CC)cc2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid?
The InChIKey is AJNGFTBCZYNHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27O4P/c1-3-18-8-12-20(13-9-18)27(24)21-14-10-19(11-15-21)25-16-6-5-7-17-26-22(23)4-2/h4,8-15,24H,2-3,5-7,16-17H2,1H3.
What are the key properties of (4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid?
(4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid has a molecular weight of 386.43 g/mol, XLogP of 3.87, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-(5-prop-2-enoyloxypentoxy)phenyl]phosphinous acid is sourced from PubChem (CID 146245379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).