2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid

C16H25O5P — CID 174393036

IUPAC2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid
SMILESCC(C)(C)OP(=O)(OC(C)(C)C)c1ccccc1CC(=O)O
InChIInChI=1S/C16H25O5P/c1-15(2,3)20-22(19,21-16(4,5)6)13-10-8-7-9-12(13)11-14(17)18/h7-10H,11H2,1-6H3,(H,17,18)
InChIKeyABJOGDRIXWEQNL-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.76
Rot. Bonds5

About 2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid

2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid (PubChem CID 174393036) has the molecular formula C16H25O5P and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid
PubChem CID174393036
Molecular FormulaC16H25O5P
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC Name2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid
SMILESCC(C)(C)OP(=O)(OC(C)(C)C)c1ccccc1CC(=O)O
InChIInChI=1S/C16H25O5P/c1-15(2,3)20-22(19,21-16(4,5)6)13-10-8-7-9-12(13)11-14(17)18/h7-10H,11H2,1-6H3,(H,17,18)
InChIKeyABJOGDRIXWEQNL-UHFFFAOYSA-N
XLogP3.76
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]benzoic acid
CID 168825865
2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
CID 117111517
CID 172781038
CID 172781038
CID 172781001
CID 172781001
2-[2-(2,2-difluoropropyl)phenyl]acetic acid
CID 84680236
4-[deuteriooxy-[(2-methylpropan-2-yl)oxy]phosphoryl]butylbenzene
CID 58794554
2-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]acetic acid
CID 71623527
2-(2-methylphenyl)acetic acid
CID 67440217
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
2-[2-(2-methylbutan-2-yloxymethyl)phenyl]acetic acid
CID 115460664
benzyl tert-butyl hydrogen phosphate
CID 140989025
2-[2-(phosphonomethyl)phenyl]acetic acid
CID 19803397

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid?
The IUPAC name of 2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid (CID 174393036) is 2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid is CC(C)(C)OP(=O)(OC(C)(C)C)c1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid?
The InChIKey is ABJOGDRIXWEQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25O5P/c1-15(2,3)20-22(19,21-16(4,5)6)13-10-8-7-9-12(13)11-14(17)18/h7-10H,11H2,1-6H3,(H,17,18).
What are the key properties of 2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid?
2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid has a molecular weight of 328.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]acetic acid is sourced from PubChem (CID 174393036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).