[5-(methoxymethyl)-2,4-dimethylphenyl]phosphane

C10H15OP — CID 20671495

IUPAC[5-(methoxymethyl)-2,4-dimethylphenyl]phosphane
SMILESCOCc1cc(P)c(C)cc1C
InChIInChI=1S/C10H15OP/c1-7-4-8(2)10(12)5-9(7)6-11-3/h4-5H,6,12H2,1-3H3
InChIKeyPZROYHSFBZVREC-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.95
Rot. Bonds2

About [5-(methoxymethyl)-2,4-dimethylphenyl]phosphane

[5-(methoxymethyl)-2,4-dimethylphenyl]phosphane (PubChem CID 20671495) has the molecular formula C10H15OP and a molecular weight of 182.20 g/mol. Its IUPAC name is [5-(methoxymethyl)-2,4-dimethylphenyl]phosphane.

Molecular Properties

Compound Name[5-(methoxymethyl)-2,4-dimethylphenyl]phosphane
PubChem CID20671495
Molecular FormulaC10H15OP
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name[5-(methoxymethyl)-2,4-dimethylphenyl]phosphane
SMILESCOCc1cc(P)c(C)cc1C
InChIInChI=1S/C10H15OP/c1-7-4-8(2)10(12)5-9(7)6-11-3/h4-5H,6,12H2,1-3H3
InChIKeyPZROYHSFBZVREC-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-2,4-dimethylphenyl]phosphane?
The IUPAC name of [5-(methoxymethyl)-2,4-dimethylphenyl]phosphane (CID 20671495) is [5-(methoxymethyl)-2,4-dimethylphenyl]phosphane.
What is the SMILES notation for [5-(methoxymethyl)-2,4-dimethylphenyl]phosphane?
The canonical SMILES for [5-(methoxymethyl)-2,4-dimethylphenyl]phosphane is COCc1cc(P)c(C)cc1C.
What is the InChIKey of [5-(methoxymethyl)-2,4-dimethylphenyl]phosphane?
The InChIKey is PZROYHSFBZVREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15OP/c1-7-4-8(2)10(12)5-9(7)6-11-3/h4-5H,6,12H2,1-3H3.
What are the key properties of [5-(methoxymethyl)-2,4-dimethylphenyl]phosphane?
[5-(methoxymethyl)-2,4-dimethylphenyl]phosphane has a molecular weight of 182.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-2,4-dimethylphenyl]phosphane is sourced from PubChem (CID 20671495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).