2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol

C21H21O4P — CID 142850685

IUPAC2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol
SMILESCC(C)(OPOc1ccccc1-c1ccccc1O)c1ccccc1O
InChIInChI=1S/C21H21O4P/c1-21(2,17-11-5-7-13-19(17)23)25-26-24-20-14-8-4-10-16(20)15-9-3-6-12-18(15)22/h3-14,22-23,26H,1-2H3
InChIKeyZQBMQDUARFOTBF-UHFFFAOYSA-N
MW368.37 g/mol
LogP5.60
Rot. Bonds6

About 2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol

2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol (PubChem CID 142850685) has the molecular formula C21H21O4P and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol
PubChem CID142850685
Molecular FormulaC21H21O4P
Molecular Weight368.37 g/mol
Exact Mass368.12
IUPAC Name2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol
SMILESCC(C)(OPOc1ccccc1-c1ccccc1O)c1ccccc1O
InChIInChI=1S/C21H21O4P/c1-21(2,17-11-5-7-13-19(17)23)25-26-24-20-14-8-4-10-16(20)15-9-3-6-12-18(15)22/h3-14,22-23,26H,1-2H3
InChIKeyZQBMQDUARFOTBF-UHFFFAOYSA-N
XLogP5.60
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.37
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-hydroxyphenyl)phenoxy]phosphanyloxymethyl]phenol
CID 142850467
2-[2-(2-aminophenoxy)propan-2-yl]phenol
CID 139654636
[2-(2-hydroxyphenyl)phenyl] hypoiodite
CID 174339961
2-(2,3-ditert-butylphenyl)phenol
CID 19881409
2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801
2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol
CID 142850473
2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol
CID 142850472
2-tert-butylphenol;N-methylmethanamine
CID 161387965
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
CID 172777673
CID 172777673
bis(2-phenylphenoxy)phosphane
CID 175384699

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol?
The IUPAC name of 2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol (CID 142850685) is 2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol.
What is the SMILES notation for 2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol?
The canonical SMILES for 2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol is CC(C)(OPOc1ccccc1-c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol?
The InChIKey is ZQBMQDUARFOTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O4P/c1-21(2,17-11-5-7-13-19(17)23)25-26-24-20-14-8-4-10-16(20)15-9-3-6-12-18(15)22/h3-14,22-23,26H,1-2H3.
What are the key properties of 2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol?
2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol has a molecular weight of 368.37 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol is sourced from PubChem (CID 142850685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).