(2-methylphenyl)-dipropoxyphosphane

C13H21O2P — CID 69053142

IUPAC(2-methylphenyl)-dipropoxyphosphane
SMILESCCCOP(OCCC)c1ccccc1C
InChIInChI=1S/C13H21O2P/c1-4-10-14-16(15-11-5-2)13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyNACILXJFTTVLTQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.79
Rot. Bonds7

About (2-methylphenyl)-dipropoxyphosphane

(2-methylphenyl)-dipropoxyphosphane (PubChem CID 69053142) has the molecular formula C13H21O2P and a molecular weight of 240.28 g/mol. Its IUPAC name is (2-methylphenyl)-dipropoxyphosphane.

Molecular Properties

Compound Name(2-methylphenyl)-dipropoxyphosphane
PubChem CID69053142
Molecular FormulaC13H21O2P
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name(2-methylphenyl)-dipropoxyphosphane
SMILESCCCOP(OCCC)c1ccccc1C
InChIInChI=1S/C13H21O2P/c1-4-10-14-16(15-11-5-2)13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyNACILXJFTTVLTQ-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.79
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 (2-methylphenyl)-dipropoxyphosphane?
The IUPAC name of (2-methylphenyl)-dipropoxyphosphane (CID 69053142) is (2-methylphenyl)-dipropoxyphosphane.
What is the SMILES notation for (2-methylphenyl)-dipropoxyphosphane?
The canonical SMILES for (2-methylphenyl)-dipropoxyphosphane is CCCOP(OCCC)c1ccccc1C.
What is the InChIKey of (2-methylphenyl)-dipropoxyphosphane?
The InChIKey is NACILXJFTTVLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O2P/c1-4-10-14-16(15-11-5-2)13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of (2-methylphenyl)-dipropoxyphosphane?
(2-methylphenyl)-dipropoxyphosphane has a molecular weight of 240.28 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-dipropoxyphosphane is sourced from PubChem (CID 69053142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).