6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol

C18H23O3P — CID 150351108

IUPAC6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol
SMILESCOc1cccc(OC)c1-c1ccc(C(C)(C)C)c(O)c1P
InChIInChI=1S/C18H23O3P/c1-18(2,3)12-10-9-11(17(22)16(12)19)15-13(20-4)7-6-8-14(15)21-5/h6-10,19H,22H2,1-5H3
InChIKeyGTTHEILPQHDPFE-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.87
Rot. Bonds3

About 6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol

6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol (PubChem CID 150351108) has the molecular formula C18H23O3P and a molecular weight of 318.35 g/mol. Its IUPAC name is 6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol.

Molecular Properties

Compound Name6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol
PubChem CID150351108
Molecular FormulaC18H23O3P
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol
SMILESCOc1cccc(OC)c1-c1ccc(C(C)(C)C)c(O)c1P
InChIInChI=1S/C18H23O3P/c1-18(2,3)12-10-9-11(17(22)16(12)19)15-13(20-4)7-6-8-14(15)21-5/h6-10,19H,22H2,1-5H3
InChIKeyGTTHEILPQHDPFE-UHFFFAOYSA-N
XLogP3.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dimethoxyphenyl)-6-phosphanylphenyl]phosphane
CID 141349618
2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol
CID 58660014
3-methoxy-2-phosphanylphenol
CID 163752640
5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde
CID 15501148
4-(2,6-dimethoxyphenyl)-3-methylphenol
CID 116811421
3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol
CID 10435212
2-bromo-1,3-bis(2,6-dimethoxyphenyl)benzene
CID 51042386
2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide
CID 175386463
1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione
CID 100970620
2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633129
2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
2,6-Dimethoxy-phenol boronic acid
CID 68597712

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol?
The IUPAC name of 6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol (CID 150351108) is 6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol.
What is the SMILES notation for 6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol?
The canonical SMILES for 6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol is COc1cccc(OC)c1-c1ccc(C(C)(C)C)c(O)c1P.
What is the InChIKey of 6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol?
The InChIKey is GTTHEILPQHDPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O3P/c1-18(2,3)12-10-9-11(17(22)16(12)19)15-13(20-4)7-6-8-14(15)21-5/h6-10,19H,22H2,1-5H3.
What are the key properties of 6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol?
6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol has a molecular weight of 318.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(2,6-dimethoxyphenyl)-2-phosphanylphenol is sourced from PubChem (CID 150351108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).