4-butyl-2-methylphenol;methyl dihydrogen phosphite

C12H21O4P — CID 174305201

IUPAC4-butyl-2-methylphenol;methyl dihydrogen phosphite
SMILESCCCCc1ccc(O)c(C)c1.COP(O)O
InChIInChI=1S/C11H16O.CH5O3P/c1-3-4-5-10-6-7-11(12)9(2)8-10;1-4-5(2)3/h6-8,12H,3-5H2,1-2H3;2-3H,1H3
InChIKeyUBRKUAFWPPBNGP-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.89
Rot. Bonds4

About 4-butyl-2-methylphenol;methyl dihydrogen phosphite

4-butyl-2-methylphenol;methyl dihydrogen phosphite (PubChem CID 174305201) has the molecular formula C12H21O4P and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-butyl-2-methylphenol;methyl dihydrogen phosphite.

Molecular Properties

Compound Name4-butyl-2-methylphenol;methyl dihydrogen phosphite
PubChem CID174305201
Molecular FormulaC12H21O4P
Molecular Weight260.27 g/mol
Exact Mass260.12
IUPAC Name4-butyl-2-methylphenol;methyl dihydrogen phosphite
SMILESCCCCc1ccc(O)c(C)c1.COP(O)O
InChIInChI=1S/C11H16O.CH5O3P/c1-3-4-5-10-6-7-11(12)9(2)8-10;1-4-5(2)3/h6-8,12H,3-5H2,1-2H3;2-3H,1H3
InChIKeyUBRKUAFWPPBNGP-UHFFFAOYSA-N
XLogP2.89
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-2-methylphenol
CID 10964856
2-methyl-4-octadecylphenol
CID 3022311
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681
4-(2-methoxyethyl)-2-methylphenol
CID 19977526
butyl 4-(4-hydroxy-3-methylphenyl)butanoate
CID 174757530
4-(4-aminoheptyl)-2-methylphenol
CID 83922946
N-(4-butylphenyl)-4-hydroxy-3-methylbenzamide
CID 107676610
methane;2-methyl-4-nonylphenol;prop-2-ene-1-thiol
CID 174442186
CID 140580608
CID 140580608
4-(2-ethoxyethyl)-2-methylphenol
CID 139712535
4-dodecyl-2-methylphenol;2-ethyl-5-methylphenol
CID 90733756
2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
CID 58663399

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methylphenol;methyl dihydrogen phosphite?
The IUPAC name of 4-butyl-2-methylphenol;methyl dihydrogen phosphite (CID 174305201) is 4-butyl-2-methylphenol;methyl dihydrogen phosphite.
What is the SMILES notation for 4-butyl-2-methylphenol;methyl dihydrogen phosphite?
The canonical SMILES for 4-butyl-2-methylphenol;methyl dihydrogen phosphite is CCCCc1ccc(O)c(C)c1.COP(O)O.
What is the InChIKey of 4-butyl-2-methylphenol;methyl dihydrogen phosphite?
The InChIKey is UBRKUAFWPPBNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.CH5O3P/c1-3-4-5-10-6-7-11(12)9(2)8-10;1-4-5(2)3/h6-8,12H,3-5H2,1-2H3;2-3H,1H3.
What are the key properties of 4-butyl-2-methylphenol;methyl dihydrogen phosphite?
4-butyl-2-methylphenol;methyl dihydrogen phosphite has a molecular weight of 260.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methylphenol;methyl dihydrogen phosphite is sourced from PubChem (CID 174305201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).