1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate

C18H20O3 — CID 86053966

IUPAC1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate
SMILESCOc1ccc(CC(C)OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-14(12-16-8-10-17(20-2)11-9-16)21-18(19)13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeySDSRMSRWSVHUKD-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.41
Rot. Bonds6

About 1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate

1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate (PubChem CID 86053966) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate.

Molecular Properties

Compound Name1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate
PubChem CID86053966
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate
SMILESCOc1ccc(CC(C)OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-14(12-16-8-10-17(20-2)11-9-16)21-18(19)13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeySDSRMSRWSVHUKD-UHFFFAOYSA-N
XLogP3.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)propan-2-yl acetate
CID 12523796
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-(4-methoxyphenyl)acetate
CID 46619885
1-bromopropan-2-yl 2-phenylacetate
CID 102297805
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 8011640
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
CID 82550165
hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride
CID 646573
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
1-bromoethyl 2-phenylacetate
CID 22386448
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
1-morpholin-4-ium-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate
CID 5204807
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate?
The IUPAC name of 1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate (CID 86053966) is 1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate.
What is the SMILES notation for 1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate?
The canonical SMILES for 1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate is COc1ccc(CC(C)OC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate?
The InChIKey is SDSRMSRWSVHUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-14(12-16-8-10-17(20-2)11-9-16)21-18(19)13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate?
1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate has a molecular weight of 284.36 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate is sourced from PubChem (CID 86053966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).