2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol

C29H23O2P — CID 56975350

IUPAC2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol
SMILESCOc1ccccc1-c1ccc(Pc2ccc3ccccc3c2-c2ccccc2O)cc1
InChIInChI=1S/C29H23O2P/c1-31-27-13-7-5-9-23(27)21-14-17-22(18-15-21)32-28-19-16-20-8-2-3-10-24(20)29(28)25-11-4-6-12-26(25)30/h2-19,30,32H,1H3
InChIKeyORFNLWDSIOKZED-UHFFFAOYSA-N
MW434.48 g/mol
LogP6.52
Rot. Bonds5

About 2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol

2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol (PubChem CID 56975350) has the molecular formula C29H23O2P and a molecular weight of 434.48 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol
PubChem CID56975350
Molecular FormulaC29H23O2P
Molecular Weight434.48 g/mol
Exact Mass434.14
IUPAC Name2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol
SMILESCOc1ccccc1-c1ccc(Pc2ccc3ccccc3c2-c2ccccc2O)cc1
InChIInChI=1S/C29H23O2P/c1-31-27-13-7-5-9-23(27)21-14-17-22(18-15-21)32-28-19-16-20-8-2-3-10-24(20)29(28)25-11-4-6-12-26(25)30/h2-19,30,32H,1H3
InChIKeyORFNLWDSIOKZED-UHFFFAOYSA-N
XLogP6.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.48
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol?
The IUPAC name of 2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol (CID 56975350) is 2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol.
What is the SMILES notation for 2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol?
The canonical SMILES for 2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol is COc1ccccc1-c1ccc(Pc2ccc3ccccc3c2-c2ccccc2O)cc1.
What is the InChIKey of 2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol?
The InChIKey is ORFNLWDSIOKZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23O2P/c1-31-27-13-7-5-9-23(27)21-14-17-22(18-15-21)32-28-19-16-20-8-2-3-10-24(20)29(28)25-11-4-6-12-26(25)30/h2-19,30,32H,1H3.
What are the key properties of 2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol?
2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol has a molecular weight of 434.48 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol is sourced from PubChem (CID 56975350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).