(4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate

C24H24O4 — CID 1194399

IUPAC(4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate
SMILESCOc1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24O4/c1-24(2,18-7-5-4-6-8-18)19-9-11-21(12-10-19)27-17-23(25)28-22-15-13-20(26-3)14-16-22/h4-16H,17H2,1-3H3
InChIKeyUUXOIKUBXUEWDR-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.01
Rot. Bonds7

About (4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate

(4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate (PubChem CID 1194399) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is (4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate.

Molecular Properties

Compound Name(4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate
PubChem CID1194399
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name(4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate
SMILESCOc1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24O4/c1-24(2,18-7-5-4-6-8-18)19-9-11-21(12-10-19)27-17-23(25)28-22-15-13-20(26-3)14-16-22/h4-16H,17H2,1-3H3
InChIKeyUUXOIKUBXUEWDR-UHFFFAOYSA-N
XLogP5.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
CID 4185935
(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
CID 167287233
[4-[1-(4-methoxyphenyl)-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenyl] 2-[4-[2-(4-acetyloxyphenyl)propan-2-yl]phenoxy]acetate
CID 20754204
benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate
CID 19179593
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene
CID 139631745
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309
phenyl 2-(4-ethylphenoxy)acetate
CID 19178986
naphthalen-1-yl 2-(4-methoxyphenoxy)acetate
CID 7913820
(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate
CID 733471

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate?
The IUPAC name of (4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate (CID 1194399) is (4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate.
What is the SMILES notation for (4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate?
The canonical SMILES for (4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate is COc1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate?
The InChIKey is UUXOIKUBXUEWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-24(2,18-7-5-4-6-8-18)19-9-11-21(12-10-19)27-17-23(25)28-22-15-13-20(26-3)14-16-22/h4-16H,17H2,1-3H3.
What are the key properties of (4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate?
(4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate has a molecular weight of 376.45 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate is sourced from PubChem (CID 1194399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).