[2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium

C22H22O3P+ — CID 150453949

IUPAC[2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium
SMILESCC(C)(C)[P+](=O)c1cccc(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C22H21O3P/c1-22(2,3)26(25)20-6-4-5-19(15-7-11-17(23)12-8-15)21(20)16-9-13-18(24)14-10-16/h4-14H,1-3H3,(H-,23,24,25)/p+1
InChIKeyZXUATXHFGDWNRP-UHFFFAOYSA-O
MW365.39 g/mol
LogP5.68
Rot. Bonds3

About [2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium

[2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium (PubChem CID 150453949) has the molecular formula C22H22O3P+ and a molecular weight of 365.39 g/mol. Its IUPAC name is [2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium.

Molecular Properties

Compound Name[2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium
PubChem CID150453949
Molecular FormulaC22H22O3P+
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name[2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium
SMILESCC(C)(C)[P+](=O)c1cccc(-c2ccc(O)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C22H21O3P/c1-22(2,3)26(25)20-6-4-5-19(15-7-11-17(23)12-8-15)21(20)16-9-13-18(24)14-10-16/h4-14H,1-3H3,(H-,23,24,25)/p+1
InChIKeyZXUATXHFGDWNRP-UHFFFAOYSA-O
XLogP5.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.39
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy(oxo)phosphanium;4-[2-(4-hydroxyphenyl)phenyl]phenol
CID 160747742
4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol
CID 139931809
tris[2,3-bis(4-hydroxyphenyl)phenyl] phosphate
CID 66816478
2,3-bis(4-methylphenyl)phenol
CID 175749747
N-[2-(4-hydroxyphenyl)phenyl]-N-methylformamide
CID 10728008
4-[2-(4-bromophenyl)-6-chlorophenyl]phenol
CID 173457120
4-(2,6-diethylphenyl)phenol
CID 21281287
2-(4-hydroxyphenyl)-6-iodophenol
CID 101468011
4-(9,10-diphenylanthracen-1-yl)phenol
CID 150494593
2,6-bis(4-hydroxyphenyl)benzenesulfonate
CID 176583554
4-(3-ethyl-2-methyl-6-phenylphenyl)phenol
CID 139603227
3,5-bis(4-hydroxyphenyl)-2-phenylchromen-4-one
CID 161104453

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium?
The IUPAC name of [2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium (CID 150453949) is [2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium.
What is the SMILES notation for [2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium?
The canonical SMILES for [2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium is CC(C)(C)[P+](=O)c1cccc(-c2ccc(O)cc2)c1-c1ccc(O)cc1.
What is the InChIKey of [2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium?
The InChIKey is ZXUATXHFGDWNRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21O3P/c1-22(2,3)26(25)20-6-4-5-19(15-7-11-17(23)12-8-15)21(20)16-9-13-18(24)14-10-16/h4-14H,1-3H3,(H-,23,24,25)/p+1.
What are the key properties of [2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium?
[2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium has a molecular weight of 365.39 g/mol, XLogP of 5.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(4-hydroxyphenyl)phenyl]-tert-butyl-oxophosphanium is sourced from PubChem (CID 150453949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).