1-(diphenylphosphorylmethyl)cyclopentan-1-ol

C18H21O2P — CID 13202528

IUPAC1-(diphenylphosphorylmethyl)cyclopentan-1-ol
SMILESO=P(CC1(O)CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21O2P/c19-18(13-7-8-14-18)15-21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,19H,7-8,13-15H2
InChIKeyPHYIVMAKUBAGBH-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.31
Rot. Bonds4

About 1-(diphenylphosphorylmethyl)cyclopentan-1-ol

1-(diphenylphosphorylmethyl)cyclopentan-1-ol (PubChem CID 13202528) has the molecular formula C18H21O2P and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-(diphenylphosphorylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(diphenylphosphorylmethyl)cyclopentan-1-ol
PubChem CID13202528
Molecular FormulaC18H21O2P
Molecular Weight300.34 g/mol
Exact Mass300.13
IUPAC Name1-(diphenylphosphorylmethyl)cyclopentan-1-ol
SMILESO=P(CC1(O)CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21O2P/c19-18(13-7-8-14-18)15-21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,19H,7-8,13-15H2
InChIKeyPHYIVMAKUBAGBH-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diphenylphosphorylmethyl)cyclopentan-1-ol?
The IUPAC name of 1-(diphenylphosphorylmethyl)cyclopentan-1-ol (CID 13202528) is 1-(diphenylphosphorylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(diphenylphosphorylmethyl)cyclopentan-1-ol?
The canonical SMILES for 1-(diphenylphosphorylmethyl)cyclopentan-1-ol is O=P(CC1(O)CCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(diphenylphosphorylmethyl)cyclopentan-1-ol?
The InChIKey is PHYIVMAKUBAGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O2P/c19-18(13-7-8-14-18)15-21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,19H,7-8,13-15H2.
What are the key properties of 1-(diphenylphosphorylmethyl)cyclopentan-1-ol?
1-(diphenylphosphorylmethyl)cyclopentan-1-ol has a molecular weight of 300.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diphenylphosphorylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 13202528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).