bis(2-methylphenyl) oxolan-2-ylmethyl phosphate

C19H23O5P — CID 154197869

IUPACbis(2-methylphenyl) oxolan-2-ylmethyl phosphate
SMILESCc1ccccc1OP(=O)(OCC1CCCO1)Oc1ccccc1C
InChIInChI=1S/C19H23O5P/c1-15-8-3-5-11-18(15)23-25(20,22-14-17-10-7-13-21-17)24-19-12-6-4-9-16(19)2/h3-6,8-9,11-12,17H,7,10,13-14H2,1-2H3
InChIKeyJQEJSLZPHUODLS-UHFFFAOYSA-N
MW362.36 g/mol
LogP5.06
Rot. Bonds7

About bis(2-methylphenyl) oxolan-2-ylmethyl phosphate

bis(2-methylphenyl) oxolan-2-ylmethyl phosphate (PubChem CID 154197869) has the molecular formula C19H23O5P and a molecular weight of 362.36 g/mol. Its IUPAC name is bis(2-methylphenyl) oxolan-2-ylmethyl phosphate.

Molecular Properties

Compound Namebis(2-methylphenyl) oxolan-2-ylmethyl phosphate
PubChem CID154197869
Molecular FormulaC19H23O5P
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC Namebis(2-methylphenyl) oxolan-2-ylmethyl phosphate
SMILESCc1ccccc1OP(=O)(OCC1CCCO1)Oc1ccccc1C
InChIInChI=1S/C19H23O5P/c1-15-8-3-5-11-18(15)23-25(20,22-14-17-10-7-13-21-17)24-19-12-6-4-9-16(19)2/h3-6,8-9,11-12,17H,7,10,13-14H2,1-2H3
InChIKeyJQEJSLZPHUODLS-UHFFFAOYSA-N
XLogP5.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.36
LogP ≤ 55.06
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

sodium;hydride;tris(2-methylphenyl) phosphate;dodecahydrate
CID 174892431
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
(1,3-dimethyl-2,4-dioxo-6-phenylpteridin-7-yl) bis(oxolan-2-ylmethyl) phosphate
CID 110171714
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
(2-methylcinnolin-2-ium-4-yl)-(oxolan-2-ylmethoxy)phosphinate
CID 164838822
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 54807643
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796
2,2-bis(hydroxymethyl)propane-1,3-diol;tris(2-methylphenyl) phosphate
CID 174787830

Frequently Asked Questions

What is the IUPAC name of bis(2-methylphenyl) oxolan-2-ylmethyl phosphate?
The IUPAC name of bis(2-methylphenyl) oxolan-2-ylmethyl phosphate (CID 154197869) is bis(2-methylphenyl) oxolan-2-ylmethyl phosphate.
What is the SMILES notation for bis(2-methylphenyl) oxolan-2-ylmethyl phosphate?
The canonical SMILES for bis(2-methylphenyl) oxolan-2-ylmethyl phosphate is Cc1ccccc1OP(=O)(OCC1CCCO1)Oc1ccccc1C.
What is the InChIKey of bis(2-methylphenyl) oxolan-2-ylmethyl phosphate?
The InChIKey is JQEJSLZPHUODLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O5P/c1-15-8-3-5-11-18(15)23-25(20,22-14-17-10-7-13-21-17)24-19-12-6-4-9-16(19)2/h3-6,8-9,11-12,17H,7,10,13-14H2,1-2H3.
What are the key properties of bis(2-methylphenyl) oxolan-2-ylmethyl phosphate?
bis(2-methylphenyl) oxolan-2-ylmethyl phosphate has a molecular weight of 362.36 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylphenyl) oxolan-2-ylmethyl phosphate is sourced from PubChem (CID 154197869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).