4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol

C29H23O3P — CID 175181163

IUPAC4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol
SMILESCc1cccc2c(OP(=O)(c3ccccc3)c3ccccc3)c(-c3ccccc3)cc(O)c12
InChIInChI=1S/C29H23O3P/c1-21-12-11-19-25-28(21)27(30)20-26(22-13-5-2-6-14-22)29(25)32-33(31,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-20,30H,1H3
InChIKeyLDNLVSOLWZNPEA-UHFFFAOYSA-N
MW450.47 g/mol
LogP6.83
Rot. Bonds5

About 4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol

4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol (PubChem CID 175181163) has the molecular formula C29H23O3P and a molecular weight of 450.47 g/mol. Its IUPAC name is 4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol.

Molecular Properties

Compound Name4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol
PubChem CID175181163
Molecular FormulaC29H23O3P
Molecular Weight450.47 g/mol
Exact Mass450.14
IUPAC Name4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol
SMILESCc1cccc2c(OP(=O)(c3ccccc3)c3ccccc3)c(-c3ccccc3)cc(O)c12
InChIInChI=1S/C29H23O3P/c1-21-12-11-19-25-28(21)27(30)20-26(22-13-5-2-6-14-22)29(25)32-33(31,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-20,30H,1H3
InChIKeyLDNLVSOLWZNPEA-UHFFFAOYSA-N
XLogP6.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.47
LogP ≤ 56.83
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

4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol
CID 175169509
2-[(2,6-dimethylphenoxy)-phenylphosphoryl]naphthalene-1,4-diol
CID 175418341
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
disodium;(4-hydroxy-2-methylnaphthalen-1-yl) phosphate
CID 70120911
3,5-dimethyl-9-phenylphenanthrene
CID 132535300
bis(2-diphenylphosphoryl-1-methyl-4-phenylnaphthalene);hydrate
CID 139039711
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone
CID 70014310
2-methyl-6-phenylphenol
CID 12592481
2,3-bis(diphenylphosphoryloxy)-1-naphthalen-1-ylnaphthalene
CID 175883914
8-methoxy-3-methyl-4-phenylnaphthalen-1-ol
CID 101420154
1-methyl-2-[phenoxy(phenyl)phosphoryl]benzene
CID 628026

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol?
The IUPAC name of 4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol (CID 175181163) is 4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol.
What is the SMILES notation for 4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol?
The canonical SMILES for 4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol is Cc1cccc2c(OP(=O)(c3ccccc3)c3ccccc3)c(-c3ccccc3)cc(O)c12.
What is the InChIKey of 4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol?
The InChIKey is LDNLVSOLWZNPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23O3P/c1-21-12-11-19-25-28(21)27(30)20-26(22-13-5-2-6-14-22)29(25)32-33(31,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-20,30H,1H3.
What are the key properties of 4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol?
4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol has a molecular weight of 450.47 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryloxy-8-methyl-3-phenylnaphthalen-1-ol is sourced from PubChem (CID 175181163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).