[3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane

C14H16O3P2 — CID 57193803

IUPAC[3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane
SMILESPOCc1cccc(Oc2cccc(COP)c2)c1
InChIInChI=1S/C14H16O3P2/c18-15-9-11-3-1-5-13(7-11)17-14-6-2-4-12(8-14)10-16-19/h1-8H,9-10,18-19H2
InChIKeyBOYUQILRUIXVIB-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.09
Rot. Bonds6

About [3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane

[3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane (PubChem CID 57193803) has the molecular formula C14H16O3P2 and a molecular weight of 294.23 g/mol. Its IUPAC name is [3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane.

Molecular Properties

Compound Name[3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane
PubChem CID57193803
Molecular FormulaC14H16O3P2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name[3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane
SMILESPOCc1cccc(Oc2cccc(COP)c2)c1
InChIInChI=1S/C14H16O3P2/c18-15-9-11-3-1-5-13(7-11)17-14-6-2-4-12(8-14)10-16-19/h1-8H,9-10,18-19H2
InChIKeyBOYUQILRUIXVIB-UHFFFAOYSA-N
XLogP4.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-phenoxyphenyl)methylphosphane
CID 70930904
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol
CID 101277634
1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene
CID 67395522
CID 163958367
CID 163958367
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
[3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate
CID 177260916
dideuterio-(3-phenoxyphenyl)methanol
CID 12604006
1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene
CID 21281086
[3-[(3-phenoxyphenyl)methylperoxymethyl]phenyl]-phenylmethanone
CID 57045686
(3-phenoxyphenyl)methyl N-methylcarbamate
CID 23548707
1-(chloromethyl)-3-(3-iodophenoxy)benzene
CID 112594493

Frequently Asked Questions

What is the IUPAC name of [3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane?
The IUPAC name of [3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane (CID 57193803) is [3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane.
What is the SMILES notation for [3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane?
The canonical SMILES for [3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane is POCc1cccc(Oc2cccc(COP)c2)c1.
What is the InChIKey of [3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane?
The InChIKey is BOYUQILRUIXVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3P2/c18-15-9-11-3-1-5-13(7-11)17-14-6-2-4-12(8-14)10-16-19/h1-8H,9-10,18-19H2.
What are the key properties of [3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane?
[3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane has a molecular weight of 294.23 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane is sourced from PubChem (CID 57193803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).