4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid

C10H14O4P2 — CID 143209625

IUPAC4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid
SMILESCOc1cc(/C=C/PP)ccc1O.O=CO
InChIInChI=1S/C9H12O2P2.CH2O2/c1-11-9-6-7(4-5-13-12)2-3-8(9)10;2-1-3/h2-6,10,13H,12H2,1H3;1H,(H,2,3)/b5-4+;
InChIKeyYJTGRKYXYWHDOV-FXRZFVDSSA-N
MW260.17 g/mol
LogP2.54
Rot. Bonds3

About 4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid

4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid (PubChem CID 143209625) has the molecular formula C10H14O4P2 and a molecular weight of 260.17 g/mol. Its IUPAC name is 4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid.

Molecular Properties

Compound Name4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid
PubChem CID143209625
Molecular FormulaC10H14O4P2
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Name4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid
SMILESCOc1cc(/C=C/PP)ccc1O.O=CO
InChIInChI=1S/C9H12O2P2.CH2O2/c1-11-9-6-7(4-5-13-12)2-3-8(9)10;2-1-3/h2-6,10,13H,12H2,1H3;1H,(H,2,3)/b5-4+;
InChIKeyYJTGRKYXYWHDOV-FXRZFVDSSA-N
XLogP2.54
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol
CID 143209626
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499
ethane;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 145227199
CID 130345281
CID 130345281
S-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enethioate
CID 122188493
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
5-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-3-oxopent-4-enal
CID 174593371
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid?
The IUPAC name of 4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid (CID 143209625) is 4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid.
What is the SMILES notation for 4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid?
The canonical SMILES for 4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid is COc1cc(/C=C/PP)ccc1O.O=CO.
What is the InChIKey of 4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid?
The InChIKey is YJTGRKYXYWHDOV-FXRZFVDSSA-N. The full InChI is InChI=1S/C9H12O2P2.CH2O2/c1-11-9-6-7(4-5-13-12)2-3-8(9)10;2-1-3/h2-6,10,13H,12H2,1H3;1H,(H,2,3)/b5-4+;.
What are the key properties of 4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid?
4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid has a molecular weight of 260.17 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol;formic acid is sourced from PubChem (CID 143209625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).