(2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone

C10H12O4P2 — CID 70886468

IUPAC(2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone
SMILESCOc1cc(C(=O)P)c(OC)cc1C(=O)P
InChIInChI=1S/C10H12O4P2/c1-13-7-3-6(10(12)16)8(14-2)4-5(7)9(11)15/h3-4H,15-16H2,1-2H3
InChIKeySEWIPXZIHDCASE-UHFFFAOYSA-N
MW258.15 g/mol
LogP1.73
Rot. Bonds4

About (2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone

(2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone (PubChem CID 70886468) has the molecular formula C10H12O4P2 and a molecular weight of 258.15 g/mol. Its IUPAC name is (2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone.

Molecular Properties

Compound Name(2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone
PubChem CID70886468
Molecular FormulaC10H12O4P2
Molecular Weight258.15 g/mol
Exact Mass258.02
IUPAC Name(2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone
SMILESCOc1cc(C(=O)P)c(OC)cc1C(=O)P
InChIInChI=1S/C10H12O4P2/c1-13-7-3-6(10(12)16)8(14-2)4-5(7)9(11)15/h3-4H,15-16H2,1-2H3
InChIKeySEWIPXZIHDCASE-UHFFFAOYSA-N
XLogP1.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone
CID 142095957
2,5-dimethoxy-4-methylbenzamide
CID 82491295
2-methoxy-4,5-dimethylbenzoyl bromide
CID 116924546
2-methyl-3-oxo-3-(2,4,5-trimethoxyphenyl)propanoic acid
CID 116918258
2-carboxy-4,5-dimethoxyphenolate
CID 86306376
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
4,5-dimethoxy-2-methylbenzoyl bromide
CID 116924582
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387
2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
CID 86014406
2-hydroxyethyl 2,4,5-trimethoxybenzoate
CID 35514388
4-amino-5-fluoro-2-methoxybenzamide
CID 124706175

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone?
The IUPAC name of (2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone (CID 70886468) is (2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone.
What is the SMILES notation for (2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone?
The canonical SMILES for (2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone is COc1cc(C(=O)P)c(OC)cc1C(=O)P.
What is the InChIKey of (2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone?
The InChIKey is SEWIPXZIHDCASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4P2/c1-13-7-3-6(10(12)16)8(14-2)4-5(7)9(11)15/h3-4H,15-16H2,1-2H3.
What are the key properties of (2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone?
(2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone has a molecular weight of 258.15 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone is sourced from PubChem (CID 70886468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).