(3-phenoxyphenyl)methylphosphane

C13H13OP — CID 70930904

IUPAC(3-phenoxyphenyl)methylphosphane
SMILESPCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H13OP/c15-10-11-5-4-8-13(9-11)14-12-6-2-1-3-7-12/h1-9H,10,15H2
InChIKeyBVWBEURQTUFEIS-UHFFFAOYSA-N
MW216.22 g/mol
LogP3.85
Rot. Bonds3

About (3-phenoxyphenyl)methylphosphane

(3-phenoxyphenyl)methylphosphane (PubChem CID 70930904) has the molecular formula C13H13OP and a molecular weight of 216.22 g/mol. Its IUPAC name is (3-phenoxyphenyl)methylphosphane.

Molecular Properties

Compound Name(3-phenoxyphenyl)methylphosphane
PubChem CID70930904
Molecular FormulaC13H13OP
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name(3-phenoxyphenyl)methylphosphane
SMILESPCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H13OP/c15-10-11-5-4-8-13(9-11)14-12-6-2-1-3-7-12/h1-9H,10,15H2
InChIKeyBVWBEURQTUFEIS-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzylphosphane;phenoxybenzene;hydrobromide
CID 174878285
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
CID 163958367
CID 163958367
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
dideuterio-(3-phenoxyphenyl)methanol
CID 12604006
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
[3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane
CID 57193803
6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 71468116
2-(3-phenoxyphenyl)ethanethioamide
CID 54208261
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
1-[(E)-but-2-enyl]-3-phenoxybenzene
CID 23463492

Frequently Asked Questions

What is the IUPAC name of (3-phenoxyphenyl)methylphosphane?
The IUPAC name of (3-phenoxyphenyl)methylphosphane (CID 70930904) is (3-phenoxyphenyl)methylphosphane.
What is the SMILES notation for (3-phenoxyphenyl)methylphosphane?
The canonical SMILES for (3-phenoxyphenyl)methylphosphane is PCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3-phenoxyphenyl)methylphosphane?
The InChIKey is BVWBEURQTUFEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13OP/c15-10-11-5-4-8-13(9-11)14-12-6-2-1-3-7-12/h1-9H,10,15H2.
What are the key properties of (3-phenoxyphenyl)methylphosphane?
(3-phenoxyphenyl)methylphosphane has a molecular weight of 216.22 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxyphenyl)methylphosphane is sourced from PubChem (CID 70930904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).