(4-methoxyphenyl)-naphthalen-1-ylphosphinic acid

C17H15O3P — CID 54108452

IUPAC(4-methoxyphenyl)-naphthalen-1-ylphosphinic acid
SMILESCOc1ccc(P(=O)(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C17H15O3P/c1-20-14-9-11-15(12-10-14)21(18,19)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3,(H,18,19)
InChIKeyNFJXFFAHCZRLPM-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.07
Rot. Bonds3

About (4-methoxyphenyl)-naphthalen-1-ylphosphinic acid

(4-methoxyphenyl)-naphthalen-1-ylphosphinic acid (PubChem CID 54108452) has the molecular formula C17H15O3P and a molecular weight of 298.28 g/mol. Its IUPAC name is (4-methoxyphenyl)-naphthalen-1-ylphosphinic acid.

Molecular Properties

Compound Name(4-methoxyphenyl)-naphthalen-1-ylphosphinic acid
PubChem CID54108452
Molecular FormulaC17H15O3P
Molecular Weight298.28 g/mol
Exact Mass298.08
IUPAC Name(4-methoxyphenyl)-naphthalen-1-ylphosphinic acid
SMILESCOc1ccc(P(=O)(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C17H15O3P/c1-20-14-9-11-15(12-10-14)21(18,19)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3,(H,18,19)
InChIKeyNFJXFFAHCZRLPM-UHFFFAOYSA-N
XLogP3.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-ylphosphonic acid;dihydrochloride
CID 175207516
1-bis(4-methoxyphenyl)phosphorylisoquinoline
CID 155666541
1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
CID 10459654
(4-methoxyphenyl)phosphonic acid;phenylmethanamine
CID 44889970
1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 46939365
(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane
CID 7004098
[1-hydroxy-2-[3-(4-methoxyphenyl)phenyl]-1-phosphonoethyl]phosphonic acid
CID 5277489
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
4-acetamidobutanoic acid;(4-methoxyphenyl)-phenylphosphinic acid
CID 160796333
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
2-N,3-N-bis(dinaphthalen-1-ylphosphoryl)butane-2,3-diimine
CID 139920617
lithium dinaphthalen-1-ylphosphinate
CID 141248266

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-naphthalen-1-ylphosphinic acid?
The IUPAC name of (4-methoxyphenyl)-naphthalen-1-ylphosphinic acid (CID 54108452) is (4-methoxyphenyl)-naphthalen-1-ylphosphinic acid.
What is the SMILES notation for (4-methoxyphenyl)-naphthalen-1-ylphosphinic acid?
The canonical SMILES for (4-methoxyphenyl)-naphthalen-1-ylphosphinic acid is COc1ccc(P(=O)(O)c2cccc3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-naphthalen-1-ylphosphinic acid?
The InChIKey is NFJXFFAHCZRLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15O3P/c1-20-14-9-11-15(12-10-14)21(18,19)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3,(H,18,19).
What are the key properties of (4-methoxyphenyl)-naphthalen-1-ylphosphinic acid?
(4-methoxyphenyl)-naphthalen-1-ylphosphinic acid has a molecular weight of 298.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-naphthalen-1-ylphosphinic acid is sourced from PubChem (CID 54108452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).