ethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate

C22H26O6 — CID 15611123

IUPACethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate
SMILESCCCc1c(OC(C(=O)OCC)c2ccc(OC)cc2)ccc(C(C)=O)c1O
InChIInChI=1S/C22H26O6/c1-5-7-18-19(13-12-17(14(3)23)20(18)24)28-21(22(25)27-6-2)15-8-10-16(26-4)11-9-15/h8-13,21,24H,5-7H2,1-4H3
InChIKeyUVPRFMDPFIXCEZ-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.24
Rot. Bonds9

About ethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate

ethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate (PubChem CID 15611123) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is ethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate
PubChem CID15611123
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Nameethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate
SMILESCCCc1c(OC(C(=O)OCC)c2ccc(OC)cc2)ccc(C(C)=O)c1O
InChIInChI=1S/C22H26O6/c1-5-7-18-19(13-12-17(14(3)23)20(18)24)28-21(22(25)27-6-2)15-8-10-16(26-4)11-9-15/h8-13,21,24H,5-7H2,1-4H3
InChIKeyUVPRFMDPFIXCEZ-UHFFFAOYSA-N
XLogP4.24
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-hexan-3-yloxy-2-hydroxy-3-propylphenyl)ethanone
CID 57258808
1-[4-(3,3-dihydroxypropoxy)-2-hydroxy-3-propylphenyl]ethanone
CID 70485136
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate
CID 15267098
methyl 2-hydroxy-4-methoxy-3-propylbenzoate
CID 14719500
(4-acetyl-3-hydroxy-2-propylphenyl) N,N-bis(methylsulfanyl)carbamate
CID 23336679
methyl 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 10620999
ethyl 4-[6-acetyl-3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]-2-propylphenoxy]butanoate
CID 19830310
4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-hydroxybenzoic acid;bicyclo[2.2.0]hexa-1,3,5-triene
CID 70501692
2-[4-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]acetic acid
CID 13389154
1-[4-[[4-(3-bromopropyl)phenyl]methoxy]-2-hydroxy-3-propylphenyl]ethanone
CID 13368603
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate (CID 15611123) is ethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate is CCCc1c(OC(C(=O)OCC)c2ccc(OC)cc2)ccc(C(C)=O)c1O.
What is the InChIKey of ethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate?
The InChIKey is UVPRFMDPFIXCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-5-7-18-19(13-12-17(14(3)23)20(18)24)28-21(22(25)27-6-2)15-8-10-16(26-4)11-9-15/h8-13,21,24H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate?
ethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate has a molecular weight of 386.44 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 15611123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).