1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol

C14H21O3P — CID 749421

IUPAC1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol
SMILESCCOP(=O)(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C14H21O3P/c1-2-17-18(16,13-9-5-3-6-10-13)14(15)11-7-4-8-12-14/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3
InChIKeyGNJDVXPUAFNLMH-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.28
Rot. Bonds4

About 1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol

1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol (PubChem CID 749421) has the molecular formula C14H21O3P and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol
PubChem CID749421
Molecular FormulaC14H21O3P
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol
SMILESCCOP(=O)(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C14H21O3P/c1-2-17-18(16,13-9-5-3-6-10-13)14(15)11-7-4-8-12-14/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3
InChIKeyGNJDVXPUAFNLMH-UHFFFAOYSA-N
XLogP3.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol?
The IUPAC name of 1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol (CID 749421) is 1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol.
What is the SMILES notation for 1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol?
The canonical SMILES for 1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol is CCOP(=O)(c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol?
The InChIKey is GNJDVXPUAFNLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O3P/c1-2-17-18(16,13-9-5-3-6-10-13)14(15)11-7-4-8-12-14/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3.
What are the key properties of 1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol?
1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol has a molecular weight of 268.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(phenyl)phosphoryl]cyclohexan-1-ol is sourced from PubChem (CID 749421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).