1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol

C18H19O2P — CID 15155087

IUPAC1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol
SMILESO=P(CC1(O)C=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19O2P/c19-18(13-7-8-14-18)15-21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-7,9-13,19H,8,14-15H2
InChIKeyWCSCIJYPDZFJRU-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.08
Rot. Bonds4

About 1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol

1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol (PubChem CID 15155087) has the molecular formula C18H19O2P and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol
PubChem CID15155087
Molecular FormulaC18H19O2P
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol
SMILESO=P(CC1(O)C=CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19O2P/c19-18(13-7-8-14-18)15-21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-7,9-13,19H,8,14-15H2
InChIKeyWCSCIJYPDZFJRU-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(diphenylphosphorylmethyl)cyclopropyl]benzene
CID 162412703
(2R)-2-(diphenylphosphorylmethyl)-2-phenyloxirane
CID 10711759
3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid
CID 66322335
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
[3-(diphenylphosphorylmethyl)-3-methyloxiran-2-yl]methanol
CID 14928748
(1R,4R,7S)-7-(diphenylphosphorylmethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 98107561
ethyl 1-phenylcyclopent-2-ene-1-carboxylate
CID 10420867
1-(benzylcarbamoyl)cyclopent-2-ene-1-carboxylic acid
CID 91059138
1,3-bis(diphenylphosphorylmethyl)urea
CID 164746016
1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea
CID 164745970
(1R,6R)-7-diphenylphosphoryl-7-azabicyclo[4.1.0]hept-3-ene
CID 98117059
2-(diphenylphosphorylmethylsulfanyl)-1-phenylethanone
CID 12896589

Frequently Asked Questions

What is the IUPAC name of 1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol?
The IUPAC name of 1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol (CID 15155087) is 1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for 1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol?
The canonical SMILES for 1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol is O=P(CC1(O)C=CCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol?
The InChIKey is WCSCIJYPDZFJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19O2P/c19-18(13-7-8-14-18)15-21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-7,9-13,19H,8,14-15H2.
What are the key properties of 1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol?
1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol has a molecular weight of 298.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diphenylphosphorylmethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 15155087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).