1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene

C18H29O2P — CID 123426552

IUPAC1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene
SMILESCCOP(C)(=O)c1ccc(C(CC)C2CCCCC2)cc1
InChIInChI=1S/C18H29O2P/c1-4-18(15-9-7-6-8-10-15)16-11-13-17(14-12-16)21(3,19)20-5-2/h11-15,18H,4-10H2,1-3H3
InChIKeyRFXSZKWVKGZRIP-UHFFFAOYSA-N
MW308.40 g/mol
LogP5.33
Rot. Bonds6

About 1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene

1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene (PubChem CID 123426552) has the molecular formula C18H29O2P and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene.

Molecular Properties

Compound Name1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene
PubChem CID123426552
Molecular FormulaC18H29O2P
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene
SMILESCCOP(C)(=O)c1ccc(C(CC)C2CCCCC2)cc1
InChIInChI=1S/C18H29O2P/c1-4-18(15-9-7-6-8-10-15)16-11-13-17(14-12-16)21(3,19)20-5-2/h11-15,18H,4-10H2,1-3H3
InChIKeyRFXSZKWVKGZRIP-UHFFFAOYSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.40
LogP ≤ 55.33
H-Bond Donors ≤ 50
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-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene?
The IUPAC name of 1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene (CID 123426552) is 1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene.
What is the SMILES notation for 1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene?
The canonical SMILES for 1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene is CCOP(C)(=O)c1ccc(C(CC)C2CCCCC2)cc1.
What is the InChIKey of 1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene?
The InChIKey is RFXSZKWVKGZRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29O2P/c1-4-18(15-9-7-6-8-10-15)16-11-13-17(14-12-16)21(3,19)20-5-2/h11-15,18H,4-10H2,1-3H3.
What are the key properties of 1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene?
1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene has a molecular weight of 308.40 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene is sourced from PubChem (CID 123426552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).