dimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone

C16H20O6P2 — CID 21365198

IUPACdimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone
SMILESCOP(OC)C(=O)c1ccc(CP(=O)(OC)OC)c2ccccc12
InChIInChI=1S/C16H20O6P2/c1-19-23(20-2)16(17)15-10-9-12(11-24(18,21-3)22-4)13-7-5-6-8-14(13)15/h5-10H,11H2,1-4H3
InChIKeyAYVOAXMQXCOFKD-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.57
Rot. Bonds8

About dimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone

dimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone (PubChem CID 21365198) has the molecular formula C16H20O6P2 and a molecular weight of 370.28 g/mol. Its IUPAC name is dimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone.

Molecular Properties

Compound Namedimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone
PubChem CID21365198
Molecular FormulaC16H20O6P2
Molecular Weight370.28 g/mol
Exact Mass370.07
IUPAC Namedimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone
SMILESCOP(OC)C(=O)c1ccc(CP(=O)(OC)OC)c2ccccc12
InChIInChI=1S/C16H20O6P2/c1-19-23(20-2)16(17)15-10-9-12(11-24(18,21-3)22-4)13-7-5-6-8-14(13)15/h5-10H,11H2,1-4H3
InChIKeyAYVOAXMQXCOFKD-UHFFFAOYSA-N
XLogP4.57
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethoxyphosphorylmethyl)phenyl]acetamide
CID 13270456
2-(dimethoxyphosphorylmethyl)benzenethiol
CID 14265948
methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride
CID 67187321
4-(hydroxymethyl)naphthalene-1-carbonyl chloride
CID 118835402
methyl 4-(azidomethyl)naphthalene-1-carboxylate
CID 20763045
2-(dimethoxyphosphorylmethyl)-4-fluoro-1-phenylbenzene
CID 72735167
1-(diethoxyphosphorylmethyl)phenanthrene
CID 141159184
4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid
CID 174545200
4-[2-tri(propan-2-yl)silyloxyethyl]naphthalene-1-carboxylic acid
CID 11717699
4-(dimethoxyphosphorylmethyl)-3-(trifluoromethyl)benzoate
CID 154001372
[5-(phosphonomethyl)naphthalen-1-yl]methylphosphonic acid
CID 102099727
methyl 4-[(2-nitro-4-sulfamoylanilino)methyl]naphthalene-1-carboxylate
CID 175280271

Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone?
The IUPAC name of dimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone (CID 21365198) is dimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone.
What is the SMILES notation for dimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone?
The canonical SMILES for dimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone is COP(OC)C(=O)c1ccc(CP(=O)(OC)OC)c2ccccc12.
What is the InChIKey of dimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone?
The InChIKey is AYVOAXMQXCOFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O6P2/c1-19-23(20-2)16(17)15-10-9-12(11-24(18,21-3)22-4)13-7-5-6-8-14(13)15/h5-10H,11H2,1-4H3.
What are the key properties of dimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone?
dimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone has a molecular weight of 370.28 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphanyl-[4-(dimethoxyphosphorylmethyl)naphthalen-1-yl]methanone is sourced from PubChem (CID 21365198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).