[4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane

C24H25O2P — CID 71336769

IUPAC[4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc(COC3CCCCO3)cc2)cc1
InChIInChI=1S/C24H25O2P/c1-3-9-21(10-4-1)27(22-11-5-2-6-12-22)23-16-14-20(15-17-23)19-26-24-13-7-8-18-25-24/h1-6,9-12,14-17,24H,7-8,13,18-19H2
InChIKeyARYZXKHLCLQVQS-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.49
Rot. Bonds6

About [4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane

[4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane (PubChem CID 71336769) has the molecular formula C24H25O2P and a molecular weight of 376.44 g/mol. Its IUPAC name is [4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane
PubChem CID71336769
Molecular FormulaC24H25O2P
Molecular Weight376.44 g/mol
Exact Mass376.16
IUPAC Name[4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc(COC3CCCCO3)cc2)cc1
InChIInChI=1S/C24H25O2P/c1-3-9-21(10-4-1)27(22-11-5-2-6-12-22)23-16-14-20(15-17-23)19-26-24-13-7-8-18-25-24/h1-6,9-12,14-17,24H,7-8,13,18-19H2
InChIKeyARYZXKHLCLQVQS-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
2-phenylmethoxyoxetane
CID 23030739
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline
CID 89394119
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[(4-chlorophenyl)methoxy]oxolane
CID 102105550
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
[4-(oxan-2-yloxymethyl)phenyl]-di(propan-2-yl)sulfanium
CID 163530015
[4-(oxan-2-yloxymethyl)phenyl]-di(propan-2-yl)silanylium
CID 143652395

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane?
The IUPAC name of [4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane (CID 71336769) is [4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane.
What is the SMILES notation for [4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane?
The canonical SMILES for [4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccc(COC3CCCCO3)cc2)cc1.
What is the InChIKey of [4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane?
The InChIKey is ARYZXKHLCLQVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O2P/c1-3-9-21(10-4-1)27(22-11-5-2-6-12-22)23-16-14-20(15-17-23)19-26-24-13-7-8-18-25-24/h1-6,9-12,14-17,24H,7-8,13,18-19H2.
What are the key properties of [4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane?
[4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane has a molecular weight of 376.44 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane is sourced from PubChem (CID 71336769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).