naphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid

C19H19OP — CID 19103083

IUPACnaphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid
SMILESCc1cc(C)c(P(O)c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C19H19OP/c1-13-11-14(2)19(15(3)12-13)21(20)18-10-6-8-16-7-4-5-9-17(16)18/h4-12,20H,1-3H3
InChIKeyXEOCLDGGQSILQM-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.11
Rot. Bonds2

About naphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid

naphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid (PubChem CID 19103083) has the molecular formula C19H19OP and a molecular weight of 294.33 g/mol. Its IUPAC name is naphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid.

Molecular Properties

Compound Namenaphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid
PubChem CID19103083
Molecular FormulaC19H19OP
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Namenaphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid
SMILESCc1cc(C)c(P(O)c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C19H19OP/c1-13-11-14(2)19(15(3)12-13)21(20)18-10-6-8-16-7-4-5-9-17(16)18/h4-12,20H,1-3H3
InChIKeyXEOCLDGGQSILQM-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid?
The IUPAC name of naphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid (CID 19103083) is naphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid.
What is the SMILES notation for naphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid?
The canonical SMILES for naphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid is Cc1cc(C)c(P(O)c2cccc3ccccc23)c(C)c1.
What is the InChIKey of naphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid?
The InChIKey is XEOCLDGGQSILQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19OP/c1-13-11-14(2)19(15(3)12-13)21(20)18-10-6-8-16-7-4-5-9-17(16)18/h4-12,20H,1-3H3.
What are the key properties of naphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid?
naphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid has a molecular weight of 294.33 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(2,4,6-trimethylphenyl)phosphinous acid is sourced from PubChem (CID 19103083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).