(E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium

C13H17O3PRf — CID 59253577

IUPAC(E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium
SMILESCOc1cc(/C=C/C(=O)O)ccc1CCCP.[Rf]
InChIInChI=1S/C13H17O3P.Rf/c1-16-12-9-10(5-7-13(14)15)4-6-11(12)3-2-8-17;/h4-7,9H,2-3,8,17H2,1H3,(H,14,15);/b7-5+;
InChIKeyGBCCTRFMIVPONZ-GZOLSCHFSA-N
MW519.25 g/mol
LogP2.60
Rot. Bonds6

About (E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium

(E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium (PubChem CID 59253577) has the molecular formula C13H17O3PRf and a molecular weight of 519.25 g/mol. Its IUPAC name is (E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium.

Molecular Properties

Compound Name(E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium
PubChem CID59253577
Molecular FormulaC13H17O3PRf
Molecular Weight519.25 g/mol
Exact Mass519.21
IUPAC Name(E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium
SMILESCOc1cc(/C=C/C(=O)O)ccc1CCCP.[Rf]
InChIInChI=1S/C13H17O3P.Rf/c1-16-12-9-10(5-7-13(14)15)4-6-11(12)3-2-8-17;/h4-7,9H,2-3,8,17H2,1H3,(H,14,15);/b7-5+;
InChIKeyGBCCTRFMIVPONZ-GZOLSCHFSA-N
XLogP2.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[3-[3-[5-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]propoxy]-4-(hydroxymethyl)phenyl]prop-2-enoic acid
CID 89033549
3-(4-acetyl-3-methoxyphenyl)prop-2-enoic acid
CID 141209631
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
(E)-3-[4-(fluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 168908115
trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174973622
(E)-3-(3-methoxy-4-sulfanyloxyphenyl)prop-2-enoic acid
CID 145055482
(E)-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enoic acid
CID 29018494
3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid
CID 172757581
(E)-3-[4-(3-chloropropyl)-3-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 134627570
(E)-3-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoic acid
CID 146640129
3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid
CID 71444927

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium?
The IUPAC name of (E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium (CID 59253577) is (E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium.
What is the SMILES notation for (E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium?
The canonical SMILES for (E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium is COc1cc(/C=C/C(=O)O)ccc1CCCP.[Rf].
What is the InChIKey of (E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium?
The InChIKey is GBCCTRFMIVPONZ-GZOLSCHFSA-N. The full InChI is InChI=1S/C13H17O3P.Rf/c1-16-12-9-10(5-7-13(14)15)4-6-11(12)3-2-8-17;/h4-7,9H,2-3,8,17H2,1H3,(H,14,15);/b7-5+;.
What are the key properties of (E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium?
(E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium has a molecular weight of 519.25 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-methoxy-4-(3-phosphanylpropyl)phenyl]prop-2-enoic acid;rutherfordium is sourced from PubChem (CID 59253577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).