2-(4-methylphenyl)-1-phosphanylethenol

C9H11OP — CID 142187482

IUPAC2-(4-methylphenyl)-1-phosphanylethenol
SMILESCc1ccc(C=C(O)P)cc1
InChIInChI=1S/C9H11OP/c1-7-2-4-8(5-3-7)6-9(10)11/h2-6,10H,11H2,1H3
InChIKeyGXSUJTCOHUYTCP-UHFFFAOYSA-N
MW166.16 g/mol
LogP2.73
Rot. Bonds1

About 2-(4-methylphenyl)-1-phosphanylethenol

2-(4-methylphenyl)-1-phosphanylethenol (PubChem CID 142187482) has the molecular formula C9H11OP and a molecular weight of 166.16 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-phosphanylethenol.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-phosphanylethenol
PubChem CID142187482
Molecular FormulaC9H11OP
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name2-(4-methylphenyl)-1-phosphanylethenol
SMILESCc1ccc(C=C(O)P)cc1
InChIInChI=1S/C9H11OP/c1-7-2-4-8(5-3-7)6-9(10)11/h2-6,10H,11H2,1H3
InChIKeyGXSUJTCOHUYTCP-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

[(E)-1-(4-methylphenyl)-3-phosphanylprop-1-en-2-yl]phosphane
CID 173489734
1-(2,2-difluoroethenyl)-4-methylbenzene
CID 6424286
1-(2,2-dicyclohexylethenyl)-4-methylbenzene
CID 175049807
2-fluoro-3-(4-methylphenyl)prop-2-enoic acid
CID 54302276
trimethyl-[2-(4-methylphenyl)-1-trimethylsilylethenyl]silane
CID 14784450
1-[(E)-2-bromo-2-phenylethenyl]-4-methylbenzene
CID 102070400
1-(2,2-diisocyanoethenyl)-4-methylbenzene
CID 58090174
1-(2-iodo-2-methylsulfanylethenyl)-4-methylbenzene
CID 175344045
(E)-1-deuterio-2-methyl-3-(4-methylphenyl)prop-2-en-1-one
CID 167622217
1-dimethoxyphosphoryl-2-(4-methylphenyl)ethenol
CID 88713945
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
trimethyl-[2-(4-methylphenyl)-1-trimethylsilyloxyethenoxy]silane
CID 101377946

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-phosphanylethenol?
The IUPAC name of 2-(4-methylphenyl)-1-phosphanylethenol (CID 142187482) is 2-(4-methylphenyl)-1-phosphanylethenol.
What is the SMILES notation for 2-(4-methylphenyl)-1-phosphanylethenol?
The canonical SMILES for 2-(4-methylphenyl)-1-phosphanylethenol is Cc1ccc(C=C(O)P)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-phosphanylethenol?
The InChIKey is GXSUJTCOHUYTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11OP/c1-7-2-4-8(5-3-7)6-9(10)11/h2-6,10H,11H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-phosphanylethenol?
2-(4-methylphenyl)-1-phosphanylethenol has a molecular weight of 166.16 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-phosphanylethenol is sourced from PubChem (CID 142187482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).