(4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate

C20H24O5P- — CID 141016479

IUPAC(4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate
SMILESCCC(C)Oc1ccc(/P=C(\[O-])c2c(OC)cc(OC)cc2OC)cc1
InChIInChI=1S/C20H25O5P/c1-6-13(2)25-14-7-9-16(10-8-14)26-20(21)19-17(23-4)11-15(22-3)12-18(19)24-5/h7-13,21H,6H2,1-5H3/p-1
InChIKeyOTVWRBHQCIAZND-UHFFFAOYSA-M
MW375.38 g/mol
LogP3.00
Rot. Bonds8

About (4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate

(4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate (PubChem CID 141016479) has the molecular formula C20H24O5P- and a molecular weight of 375.38 g/mol. Its IUPAC name is (4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate.

Molecular Properties

Compound Name(4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate
PubChem CID141016479
Molecular FormulaC20H24O5P-
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name(4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate
SMILESCCC(C)Oc1ccc(/P=C(\[O-])c2c(OC)cc(OC)cc2OC)cc1
InChIInChI=1S/C20H25O5P/c1-6-13(2)25-14-7-9-16(10-8-14)26-20(21)19-17(23-4)11-15(22-3)12-18(19)24-5/h7-13,21H,6H2,1-5H3/p-1
InChIKeyOTVWRBHQCIAZND-UHFFFAOYSA-M
XLogP3.00
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate
CID 141022909
lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide
CID 141015966
lithium [2,4-di(butan-2-yloxy)phenyl]phosphanide
CID 141016038
(2,4-dimethoxyphenyl)phosphanylidene-(2,6-dimethylphenyl)methanolate
CID 141016894
CID 70014116
CID 70014116
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173244207
1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine
CID 82000203
1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
CID 61269298
phenyl-(4-propan-2-yloxyphenyl)phosphanylidenemethanolate
CID 141016141
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
4-butan-2-yloxyaniline
CID 13097722
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate?
The IUPAC name of (4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate (CID 141016479) is (4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate.
What is the SMILES notation for (4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate?
The canonical SMILES for (4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate is CCC(C)Oc1ccc(/P=C(\[O-])c2c(OC)cc(OC)cc2OC)cc1.
What is the InChIKey of (4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate?
The InChIKey is OTVWRBHQCIAZND-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H25O5P/c1-6-13(2)25-14-7-9-16(10-8-14)26-20(21)19-17(23-4)11-15(22-3)12-18(19)24-5/h7-13,21H,6H2,1-5H3/p-1.
What are the key properties of (4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate?
(4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate has a molecular weight of 375.38 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-yloxyphenyl)phosphanylidene-(2,4,6-trimethoxyphenyl)methanolate is sourced from PubChem (CID 141016479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).