dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

C27H43O5P — CID 67253735

IUPACdodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CCCCCCCCCCCCOP(O)O
InChIInChI=1S/C15H16O2.C12H27O3P/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-2-3-4-5-6-7-8-9-10-11-12-15-16(13)14/h3-10,16-17H,1-2H3;13-14H,2-12H2,1H3
InChIKeyRIUNCPBHMZYRQY-UHFFFAOYSA-N
MW478.61 g/mol
LogP7.56
Rot. Bonds14

About dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 67253735) has the molecular formula C27H43O5P and a molecular weight of 478.61 g/mol. Its IUPAC name is dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Namedodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID67253735
Molecular FormulaC27H43O5P
Molecular Weight478.61 g/mol
Exact Mass478.28
IUPAC Namedodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CCCCCCCCCCCCOP(O)O
InChIInChI=1S/C15H16O2.C12H27O3P/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-2-3-4-5-6-7-8-9-10-11-12-15-16(13)14/h3-10,16-17H,1-2H3;13-14H,2-12H2,1H3
InChIKeyRIUNCPBHMZYRQY-UHFFFAOYSA-N
XLogP7.56
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.61
LogP ≤ 57.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite
CID 67255445
2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol
CID 67709823
azane;hexyl dihydrogen phosphite
CID 173357133
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(tridecanoic acid)
CID 90370413
pentyl dihydrogen phosphite;zinc
CID 88839337
dodecyl-dihydroxy-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phosphanium
CID 141258021
1-butyl-3-tert-butylbenzene;decyl dihydrogen phosphite
CID 158558056
4-nonylphenol;4-(2-phenylpropan-2-yl)phenol
CID 19993999
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite
CID 175158559
2,3-ditert-butyl-4-methylphenol;pentyl dihydrogen phosphite
CID 174889664

Frequently Asked Questions

What is the IUPAC name of dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 67253735) is dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CCCCCCCCCCCCOP(O)O.
What is the InChIKey of dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is RIUNCPBHMZYRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C12H27O3P/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-2-3-4-5-6-7-8-9-10-11-12-15-16(13)14/h3-10,16-17H,1-2H3;13-14H,2-12H2,1H3.
What are the key properties of dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 478.61 g/mol, XLogP of 7.56, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 67253735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).