3-hydroxypropyl (4-methylphenyl) hydrogen phosphite

C10H15O4P — CID 57282187

IUPAC3-hydroxypropyl (4-methylphenyl) hydrogen phosphite
SMILESCc1ccc(OP(O)OCCCO)cc1
InChIInChI=1S/C10H15O4P/c1-9-3-5-10(6-4-9)14-15(12)13-8-2-7-11/h3-6,11-12H,2,7-8H2,1H3
InChIKeyCBPBPRYMFURRHY-UHFFFAOYSA-N
MW230.20 g/mol
LogP1.99
Rot. Bonds6

About 3-hydroxypropyl (4-methylphenyl) hydrogen phosphite

3-hydroxypropyl (4-methylphenyl) hydrogen phosphite (PubChem CID 57282187) has the molecular formula C10H15O4P and a molecular weight of 230.20 g/mol. Its IUPAC name is 3-hydroxypropyl (4-methylphenyl) hydrogen phosphite.

Molecular Properties

Compound Name3-hydroxypropyl (4-methylphenyl) hydrogen phosphite
PubChem CID57282187
Molecular FormulaC10H15O4P
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Name3-hydroxypropyl (4-methylphenyl) hydrogen phosphite
SMILESCc1ccc(OP(O)OCCCO)cc1
InChIInChI=1S/C10H15O4P/c1-9-3-5-10(6-4-9)14-15(12)13-8-2-7-11/h3-6,11-12H,2,7-8H2,1H3
InChIKeyCBPBPRYMFURRHY-UHFFFAOYSA-N
XLogP1.99
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl (4-methylphenyl) hydrogen phosphite?
The IUPAC name of 3-hydroxypropyl (4-methylphenyl) hydrogen phosphite (CID 57282187) is 3-hydroxypropyl (4-methylphenyl) hydrogen phosphite.
What is the SMILES notation for 3-hydroxypropyl (4-methylphenyl) hydrogen phosphite?
The canonical SMILES for 3-hydroxypropyl (4-methylphenyl) hydrogen phosphite is Cc1ccc(OP(O)OCCCO)cc1.
What is the InChIKey of 3-hydroxypropyl (4-methylphenyl) hydrogen phosphite?
The InChIKey is CBPBPRYMFURRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4P/c1-9-3-5-10(6-4-9)14-15(12)13-8-2-7-11/h3-6,11-12H,2,7-8H2,1H3.
What are the key properties of 3-hydroxypropyl (4-methylphenyl) hydrogen phosphite?
3-hydroxypropyl (4-methylphenyl) hydrogen phosphite has a molecular weight of 230.20 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl (4-methylphenyl) hydrogen phosphite is sourced from PubChem (CID 57282187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).