(2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate

C17H18O3P- — CID 141016894

IUPAC(2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate
SMILESCOc1ccc(/P=C(\[O-])c2c(C)cccc2C)c(OC)c1
InChIInChI=1S/C17H19O3P/c1-11-6-5-7-12(2)16(11)17(18)21-15-9-8-13(19-3)10-14(15)20-4/h5-10,18H,1-4H3/p-1
InChIKeyOZRJWGXOOPEACE-UHFFFAOYSA-M
MW301.30 g/mol
LogP2.43
Rot. Bonds4

About (2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate

(2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate (PubChem CID 141016894) has the molecular formula C17H18O3P- and a molecular weight of 301.30 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate
PubChem CID141016894
Molecular FormulaC17H18O3P-
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name(2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate
SMILESCOc1ccc(/P=C(\[O-])c2c(C)cccc2C)c(OC)c1
InChIInChI=1S/C17H19O3P/c1-11-6-5-7-12(2)16(11)17(18)21-15-9-8-13(19-3)10-14(15)20-4/h5-10,18H,1-4H3/p-1
InChIKeyOZRJWGXOOPEACE-UHFFFAOYSA-M
XLogP2.43
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylphenyl)-(2,4,6-tributoxyphenyl)phosphanylidenemethanolate
CID 141016517
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
1,4-dimethoxy-2-(2-methylphenoxy)benzene
CID 173173641
(4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate
CID 141016479
2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol
CID 115904030
2,4-dimethoxybenzoate
CID 6947027
3-(2,4-dimethoxyphenyl)-2-methylbenzoate
CID 86307310
3-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056868
2-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylbenzene
CID 165346994
(2,4-dimethoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 43197264
1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318862
(5-methoxy-2-methylphenyl) hypoiodite
CID 142839630

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate?
The IUPAC name of (2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate (CID 141016894) is (2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate.
What is the SMILES notation for (2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate?
The canonical SMILES for (2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate is COc1ccc(/P=C(\[O-])c2c(C)cccc2C)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate?
The InChIKey is OZRJWGXOOPEACE-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19O3P/c1-11-6-5-7-12(2)16(11)17(18)21-15-9-8-13(19-3)10-14(15)20-4/h5-10,18H,1-4H3/p-1.
What are the key properties of (2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate?
(2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate has a molecular weight of 301.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate is sourced from PubChem (CID 141016894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).