bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium

C20H22O7P+ — CID 174479530

IUPACbis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium
SMILESCC(=O)Oc1ccc(CO[P+](=O)OCc2ccc(OC(C)=O)c(C)c2)cc1C
InChIInChI=1S/C20H22O7P/c1-13-9-17(5-7-19(13)26-15(3)21)11-24-28(23)25-12-18-6-8-20(14(2)10-18)27-16(4)22/h5-10H,11-12H2,1-4H3/q+1
InChIKeyHXLPWNPVQWDQGM-UHFFFAOYSA-N
MW405.36 g/mol
LogP4.54
Rot. Bonds8

About bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium

bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium (PubChem CID 174479530) has the molecular formula C20H22O7P+ and a molecular weight of 405.36 g/mol. Its IUPAC name is bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium
PubChem CID174479530
Molecular FormulaC20H22O7P+
Molecular Weight405.36 g/mol
Exact Mass405.11
IUPAC Namebis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium
SMILESCC(=O)Oc1ccc(CO[P+](=O)OCc2ccc(OC(C)=O)c(C)c2)cc1C
InChIInChI=1S/C20H22O7P/c1-13-9-17(5-7-19(13)26-15(3)21)11-24-28(23)25-12-18-6-8-20(14(2)10-18)27-16(4)22/h5-10H,11-12H2,1-4H3/q+1
InChIKeyHXLPWNPVQWDQGM-UHFFFAOYSA-N
XLogP4.54
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-acetyloxy-4-[(2,6-dimethylphenoxy)methyl]phenyl] acetate
CID 141220884
(4-carbonochloridoyl-2-methylphenyl) acetate
CID 88906755
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
[2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate
CID 11694368
[2-[(4-ethyl-2-methylphenoxy)methyl]-3-(trifluoromethyl)phenyl] acetate
CID 122650109
methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate
CID 586458
trimethylsilyl 4-acetyloxy-3-methylbenzoate
CID 91734163
[4-(4-methoxy-3-methylphenyl)sulfinyl-2-methylphenyl] acetate
CID 89408252
[2-acetyloxy-4-[5-(3,4-dimethylphenyl)-4-oxopentyl]phenyl] acetate
CID 58348906
(5-acetyl-2-methylfuran-3-yl) acetate
CID 174700084
tris[2-(3,4-diacetyloxyphenyl)ethyl]selanium
CID 71489018
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709

Frequently Asked Questions

What is the IUPAC name of bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium?
The IUPAC name of bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium (CID 174479530) is bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium.
What is the SMILES notation for bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium?
The canonical SMILES for bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium is CC(=O)Oc1ccc(CO[P+](=O)OCc2ccc(OC(C)=O)c(C)c2)cc1C.
What is the InChIKey of bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium?
The InChIKey is HXLPWNPVQWDQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O7P/c1-13-9-17(5-7-19(13)26-15(3)21)11-24-28(23)25-12-18-6-8-20(14(2)10-18)27-16(4)22/h5-10H,11-12H2,1-4H3/q+1.
What are the key properties of bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium?
bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium has a molecular weight of 405.36 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium is sourced from PubChem (CID 174479530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).