ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate

C23H30O5 — CID 10667877

IUPACethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate
SMILESCCOC(=O)CCCC(C)c1cc(OC)c(OC)cc1OCc1ccccc1
InChIInChI=1S/C23H30O5/c1-5-27-23(24)13-9-10-17(2)19-14-21(25-3)22(26-4)15-20(19)28-16-18-11-7-6-8-12-18/h6-8,11-12,14-15,17H,5,9-10,13,16H2,1-4H3
InChIKeyZOFNLFWRNLGIRW-UHFFFAOYSA-N
MW386.49 g/mol
LogP5.12
Rot. Bonds11

About ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate

ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate (PubChem CID 10667877) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate.

Molecular Properties

Compound Nameethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate
PubChem CID10667877
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Nameethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate
SMILESCCOC(=O)CCCC(C)c1cc(OC)c(OC)cc1OCc1ccccc1
InChIInChI=1S/C23H30O5/c1-5-27-23(24)13-9-10-17(2)19-14-21(25-3)22(26-4)15-20(19)28-16-18-11-7-6-8-12-18/h6-8,11-12,14-15,17H,5,9-10,13,16H2,1-4H3
InChIKeyZOFNLFWRNLGIRW-UHFFFAOYSA-N
XLogP5.12
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
CID 171265334
ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
CID 171214368
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene
CID 130368760
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine
CID 171214322
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214333
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171214367
ethyl 3-[benzyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 3541865
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
(S)-diethoxyphosphoryl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine
CID 171191970

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate?
The IUPAC name of ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate (CID 10667877) is ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate.
What is the SMILES notation for ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate?
The canonical SMILES for ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate is CCOC(=O)CCCC(C)c1cc(OC)c(OC)cc1OCc1ccccc1.
What is the InChIKey of ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate?
The InChIKey is ZOFNLFWRNLGIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O5/c1-5-27-23(24)13-9-10-17(2)19-14-21(25-3)22(26-4)15-20(19)28-16-18-11-7-6-8-12-18/h6-8,11-12,14-15,17H,5,9-10,13,16H2,1-4H3.
What are the key properties of ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate?
ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate has a molecular weight of 386.49 g/mol, XLogP of 5.12, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate is sourced from PubChem (CID 10667877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).