2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol

C20H19O2P — CID 58722023

IUPAC2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol
SMILESCc1ccccc1P(c1ccccc1C)c1cc(O)ccc1O
InChIInChI=1S/C20H19O2P/c1-14-7-3-5-9-18(14)23(19-10-6-4-8-15(19)2)20-13-16(21)11-12-17(20)22/h3-13,21-22H,1-2H3
InChIKeyMZCSFJQHURZNHY-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.47
Rot. Bonds3

About 2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol

2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol (PubChem CID 58722023) has the molecular formula C20H19O2P and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol.

Molecular Properties

Compound Name2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol
PubChem CID58722023
Molecular FormulaC20H19O2P
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol
SMILESCc1ccccc1P(c1ccccc1C)c1cc(O)ccc1O
InChIInChI=1S/C20H19O2P/c1-14-7-3-5-9-18(14)23(19-10-6-4-8-15(19)2)20-13-16(21)11-12-17(20)22/h3-13,21-22H,1-2H3
InChIKeyMZCSFJQHURZNHY-UHFFFAOYSA-N
XLogP3.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol?
The IUPAC name of 2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol (CID 58722023) is 2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol.
What is the SMILES notation for 2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol?
The canonical SMILES for 2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol is Cc1ccccc1P(c1ccccc1C)c1cc(O)ccc1O.
What is the InChIKey of 2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol?
The InChIKey is MZCSFJQHURZNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O2P/c1-14-7-3-5-9-18(14)23(19-10-6-4-8-15(19)2)20-13-16(21)11-12-17(20)22/h3-13,21-22H,1-2H3.
What are the key properties of 2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol?
2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol has a molecular weight of 322.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(2-methylphenyl)phosphanylbenzene-1,4-diol is sourced from PubChem (CID 58722023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).