1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol

C23H23O3P — CID 143190592

IUPAC1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol
SMILESC=C(O)c1ccc(-c2ccc(OCCC)c(P)c2)cc1Oc1ccccc1
InChIInChI=1S/C23H23O3P/c1-3-13-25-21-12-10-18(15-23(21)27)17-9-11-20(16(2)24)22(14-17)26-19-7-5-4-6-8-19/h4-12,14-15,24H,2-3,13,27H2,1H3
InChIKeyMCDKNAJGZYDEND-UHFFFAOYSA-N
MW378.41 g/mol
LogP5.96
Rot. Bonds7

About 1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol

1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol (PubChem CID 143190592) has the molecular formula C23H23O3P and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol.

Molecular Properties

Compound Name1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol
PubChem CID143190592
Molecular FormulaC23H23O3P
Molecular Weight378.41 g/mol
Exact Mass378.14
IUPAC Name1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol
SMILESC=C(O)c1ccc(-c2ccc(OCCC)c(P)c2)cc1Oc1ccccc1
InChIInChI=1S/C23H23O3P/c1-3-13-25-21-12-10-18(15-23(21)27)17-9-11-20(16(2)24)22(14-17)26-19-7-5-4-6-8-19/h4-12,14-15,24H,2-3,13,27H2,1H3
InChIKeyMCDKNAJGZYDEND-UHFFFAOYSA-N
XLogP5.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-iodoethoxy)-3-methylphenyl]-2-phenoxybenzoic acid
CID 147938385
2-phenoxy-4-phenylbenzoic acid
CID 139966972
4-(3,5-dimethyl-4-propoxyphenyl)-2-(4-methylphenoxy)benzoic acid;ethane
CID 142932454
(E)-4-oxo-4-(5-phenoxy-2-propoxyphenyl)but-2-enoic acid
CID 82267193
propan-2-yl 5-phenoxy-2-propoxybenzoate
CID 82552129
2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid
CID 71083072
2-phenoxy-3-propoxybenzoic acid
CID 67826110
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
4-(3,4-dipropoxyphenyl)aniline
CID 61026286
4-chloro-2-(2-propoxyphenoxy)benzoic acid
CID 63082699

Frequently Asked Questions

What is the IUPAC name of 1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol?
The IUPAC name of 1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol (CID 143190592) is 1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol.
What is the SMILES notation for 1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol?
The canonical SMILES for 1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol is C=C(O)c1ccc(-c2ccc(OCCC)c(P)c2)cc1Oc1ccccc1.
What is the InChIKey of 1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol?
The InChIKey is MCDKNAJGZYDEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O3P/c1-3-13-25-21-12-10-18(15-23(21)27)17-9-11-20(16(2)24)22(14-17)26-19-7-5-4-6-8-19/h4-12,14-15,24H,2-3,13,27H2,1H3.
What are the key properties of 1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol?
1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol has a molecular weight of 378.41 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenoxy-4-(3-phosphanyl-4-propoxyphenyl)phenyl]ethenol is sourced from PubChem (CID 143190592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).