2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol

C20H35O4P — CID 174446624

IUPAC2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol
SMILESCCOP(=O)(CC)OCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H35O4P/c1-9-23-25(22,10-2)24-12-11-15-13-16(19(3,4)5)18(21)17(14-15)20(6,7)8/h13-14,21H,9-12H2,1-8H3
InChIKeyIQVHTFFJRBZXFZ-UHFFFAOYSA-N
MW370.47 g/mol
LogP5.80
Rot. Bonds7

About 2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol

2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol (PubChem CID 174446624) has the molecular formula C20H35O4P and a molecular weight of 370.47 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol
PubChem CID174446624
Molecular FormulaC20H35O4P
Molecular Weight370.47 g/mol
Exact Mass370.23
IUPAC Name2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol
SMILESCCOP(=O)(CC)OCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H35O4P/c1-9-23-25(22,10-2)24-12-11-15-13-16(19(3,4)5)18(21)17(14-15)20(6,7)8/h13-14,21H,9-12H2,1-8H3
InChIKeyIQVHTFFJRBZXFZ-UHFFFAOYSA-N
XLogP5.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride
CID 173169408
2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;(3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate;methane
CID 158091243
2,6-ditert-butyl-4-(didodecoxyphosphorylmethyl)phenol
CID 23358457
2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
CID 87083912
(3,5-ditert-butyl-4-hydroxyphenyl)methoxy-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphinic acid
CID 149251641
2,6-ditert-butyl-4-propylphenol;methyl formate
CID 145003703
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
bis((3,5-ditert-butyl-4-hydroxybenzoyl)-ethoxyphosphinate);nickel(2+)
CID 159158604
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
CID 175291494
(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphate;ethanolate;nickel
CID 158833007
4-butyl-2,6-ditert-butylphenol
CID 158079570
2,6-ditert-butyl-4-[N-(diethoxyphosphorylmethyl)-4-pentylanilino]phenol
CID 54424774

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol (CID 174446624) is 2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol is CCOP(=O)(CC)OCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol?
The InChIKey is IQVHTFFJRBZXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35O4P/c1-9-23-25(22,10-2)24-12-11-15-13-16(19(3,4)5)18(21)17(14-15)20(6,7)8/h13-14,21H,9-12H2,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol?
2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol has a molecular weight of 370.47 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[2-[ethoxy(ethyl)phosphoryl]oxyethyl]phenol is sourced from PubChem (CID 174446624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).