tris(2-methoxy-4-propylphenol);phosphoric acid

C30H45O10P — CID 71328492

IUPACtris(2-methoxy-4-propylphenol);phosphoric acid
SMILESCCCc1ccc(O)c(OC)c1.CCCc1ccc(O)c(OC)c1.CCCc1ccc(O)c(OC)c1.O=P(O)(O)O
InChIInChI=1S/3C10H14O2.H3O4P/c3*1-3-4-8-5-6-9(11)10(7-8)12-2;1-5(2,3)4/h3*5-7,11H,3-4H2,1-2H3;(H3,1,2,3,4)
InChIKeyGXTXUWOINFKZMC-UHFFFAOYSA-N
MW596.65 g/mol
LogP6.13
Rot. Bonds9

About tris(2-methoxy-4-propylphenol);phosphoric acid

tris(2-methoxy-4-propylphenol);phosphoric acid (PubChem CID 71328492) has the molecular formula C30H45O10P and a molecular weight of 596.65 g/mol. Its IUPAC name is tris(2-methoxy-4-propylphenol);phosphoric acid.

Molecular Properties

Compound Nametris(2-methoxy-4-propylphenol);phosphoric acid
PubChem CID71328492
Molecular FormulaC30H45O10P
Molecular Weight596.65 g/mol
Exact Mass596.28
IUPAC Nametris(2-methoxy-4-propylphenol);phosphoric acid
SMILESCCCc1ccc(O)c(OC)c1.CCCc1ccc(O)c(OC)c1.CCCc1ccc(O)c(OC)c1.O=P(O)(O)O
InChIInChI=1S/3C10H14O2.H3O4P/c3*1-3-4-8-5-6-9(11)10(7-8)12-2;1-5(2,3)4/h3*5-7,11H,3-4H2,1-2H3;(H3,1,2,3,4)
InChIKeyGXTXUWOINFKZMC-UHFFFAOYSA-N
XLogP6.13
TPSA166.14 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500596.65
LogP ≤ 56.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methoxy-4-propylphenol
CID 144852330
bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate
CID 164613132
1-butoxybutane;4-(hydroxymethyl)-2-methoxyphenol;phosphoric acid
CID 69028004
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
ethane;1-(4-hydroxy-3-methoxyphenyl)pentan-3-one
CID 154645810
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
CID 175936648
CID 175936648
2-methoxy-4-[1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl]phenol
CID 15098594
ethyl 2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butanoate
CID 21224421
4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
CID 10845923
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
CID 154644614

Frequently Asked Questions

What is the IUPAC name of tris(2-methoxy-4-propylphenol);phosphoric acid?
The IUPAC name of tris(2-methoxy-4-propylphenol);phosphoric acid (CID 71328492) is tris(2-methoxy-4-propylphenol);phosphoric acid.
What is the SMILES notation for tris(2-methoxy-4-propylphenol);phosphoric acid?
The canonical SMILES for tris(2-methoxy-4-propylphenol);phosphoric acid is CCCc1ccc(O)c(OC)c1.CCCc1ccc(O)c(OC)c1.CCCc1ccc(O)c(OC)c1.O=P(O)(O)O.
What is the InChIKey of tris(2-methoxy-4-propylphenol);phosphoric acid?
The InChIKey is GXTXUWOINFKZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H14O2.H3O4P/c3*1-3-4-8-5-6-9(11)10(7-8)12-2;1-5(2,3)4/h3*5-7,11H,3-4H2,1-2H3;(H3,1,2,3,4).
What are the key properties of tris(2-methoxy-4-propylphenol);phosphoric acid?
tris(2-methoxy-4-propylphenol);phosphoric acid has a molecular weight of 596.65 g/mol, XLogP of 6.13, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methoxy-4-propylphenol);phosphoric acid is sourced from PubChem (CID 71328492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).