(4-methylphenoxy)methyl dihydrogen phosphite

C8H11O4P — CID 143072711

IUPAC(4-methylphenoxy)methyl dihydrogen phosphite
SMILESCc1ccc(OCOP(O)O)cc1
InChIInChI=1S/C8H11O4P/c1-7-2-4-8(5-3-7)11-6-12-13(9)10/h2-5,9-10H,6H2,1H3
InChIKeyXIOQEYIIYMSNIQ-UHFFFAOYSA-N
MW202.15 g/mol
LogP1.56
Rot. Bonds4

About (4-methylphenoxy)methyl dihydrogen phosphite

(4-methylphenoxy)methyl dihydrogen phosphite (PubChem CID 143072711) has the molecular formula C8H11O4P and a molecular weight of 202.15 g/mol. Its IUPAC name is (4-methylphenoxy)methyl dihydrogen phosphite.

Molecular Properties

Compound Name(4-methylphenoxy)methyl dihydrogen phosphite
PubChem CID143072711
Molecular FormulaC8H11O4P
Molecular Weight202.15 g/mol
Exact Mass202.04
IUPAC Name(4-methylphenoxy)methyl dihydrogen phosphite
SMILESCc1ccc(OCOP(O)O)cc1
InChIInChI=1S/C8H11O4P/c1-7-2-4-8(5-3-7)11-6-12-13(9)10/h2-5,9-10H,6H2,1H3
InChIKeyXIOQEYIIYMSNIQ-UHFFFAOYSA-N
XLogP1.56
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenoxy)methyl dihydrogen phosphite?
The IUPAC name of (4-methylphenoxy)methyl dihydrogen phosphite (CID 143072711) is (4-methylphenoxy)methyl dihydrogen phosphite.
What is the SMILES notation for (4-methylphenoxy)methyl dihydrogen phosphite?
The canonical SMILES for (4-methylphenoxy)methyl dihydrogen phosphite is Cc1ccc(OCOP(O)O)cc1.
What is the InChIKey of (4-methylphenoxy)methyl dihydrogen phosphite?
The InChIKey is XIOQEYIIYMSNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O4P/c1-7-2-4-8(5-3-7)11-6-12-13(9)10/h2-5,9-10H,6H2,1H3.
What are the key properties of (4-methylphenoxy)methyl dihydrogen phosphite?
(4-methylphenoxy)methyl dihydrogen phosphite has a molecular weight of 202.15 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenoxy)methyl dihydrogen phosphite is sourced from PubChem (CID 143072711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).