(2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone

C13H13O4P — CID 91111452

IUPAC(2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone
SMILESCOc1ccc(P)c(OC)c1C(=O)c1ccco1
InChIInChI=1S/C13H13O4P/c1-15-8-5-6-10(18)13(16-2)11(8)12(14)9-4-3-7-17-9/h3-7H,18H2,1-2H3
InChIKeyUEEIHVIIBSJWNK-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.03
Rot. Bonds4

About (2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone

(2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone (PubChem CID 91111452) has the molecular formula C13H13O4P and a molecular weight of 264.22 g/mol. Its IUPAC name is (2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone
PubChem CID91111452
Molecular FormulaC13H13O4P
Molecular Weight264.22 g/mol
Exact Mass264.06
IUPAC Name(2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone
SMILESCOc1ccc(P)c(OC)c1C(=O)c1ccco1
InChIInChI=1S/C13H13O4P/c1-15-8-5-6-10(18)13(16-2)11(8)12(14)9-4-3-7-17-9/h3-7H,18H2,1-2H3
InChIKeyUEEIHVIIBSJWNK-UHFFFAOYSA-N
XLogP2.03
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dimethoxy-3-methylphenyl)methyl]furan-2-carboxamide
CID 110783199
1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione
CID 43321207
[4-(hydroxyiminomethyl)-2-methoxyphenyl] furan-2-carboxylate
CID 23822868
[(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate
CID 5454853
(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate
CID 58189999
N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057
N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide
CID 113101908
(2R)-2-(18F)fluoro-1-(furan-2-yl)-2-methoxyethanone
CID 162417007
2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1,2-dihydropyrrol-5-one
CID 3155876
furan-2-yl(phosphanyl)methanone
CID 151549332
(2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone
CID 21430685

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone?
The IUPAC name of (2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone (CID 91111452) is (2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone.
What is the SMILES notation for (2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone?
The canonical SMILES for (2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone is COc1ccc(P)c(OC)c1C(=O)c1ccco1.
What is the InChIKey of (2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone?
The InChIKey is UEEIHVIIBSJWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O4P/c1-15-8-5-6-10(18)13(16-2)11(8)12(14)9-4-3-7-17-9/h3-7H,18H2,1-2H3.
What are the key properties of (2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone?
(2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone has a molecular weight of 264.22 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-3-phosphanylphenyl)-(furan-2-yl)methanone is sourced from PubChem (CID 91111452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).