methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate

C19H22O4 — CID 141452623

IUPACmethyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate
SMILESCOCCc1ccc(CC(=O)OC)c(OCc2ccccc2)c1
InChIInChI=1S/C19H22O4/c1-21-11-10-15-8-9-17(13-19(20)22-2)18(12-15)23-14-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyZEQGHQMGGICYRF-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.17
Rot. Bonds8

About methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate

methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate (PubChem CID 141452623) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate
PubChem CID141452623
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Namemethyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate
SMILESCOCCc1ccc(CC(=O)OC)c(OCc2ccccc2)c1
InChIInChI=1S/C19H22O4/c1-21-11-10-15-8-9-17(13-19(20)22-2)18(12-15)23-14-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyZEQGHQMGGICYRF-UHFFFAOYSA-N
XLogP3.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate
CID 141452620
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 11122675
2-(4-methyl-3-phenylmethoxyphenyl)ethanol
CID 117358003
methyl 3-[3,4-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 142350282
methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
CID 71187027
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate?
The IUPAC name of methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate (CID 141452623) is methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate?
The canonical SMILES for methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate is COCCc1ccc(CC(=O)OC)c(OCc2ccccc2)c1.
What is the InChIKey of methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate?
The InChIKey is ZEQGHQMGGICYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-21-11-10-15-8-9-17(13-19(20)22-2)18(12-15)23-14-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3.
What are the key properties of methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate?
methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate has a molecular weight of 314.38 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate is sourced from PubChem (CID 141452623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).