ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate

C22H28O3 — CID 67187832

IUPACethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate
SMILESCCOC(=O)C(CCCc1ccccc1)CCc1cccc(OC)c1
InChIInChI=1S/C22H28O3/c1-3-25-22(23)20(13-7-11-18-9-5-4-6-10-18)16-15-19-12-8-14-21(17-19)24-2/h4-6,8-10,12,14,17,20H,3,7,11,13,15-16H2,1-2H3
InChIKeyQJEBZOJRLAEVLV-UHFFFAOYSA-N
MW340.46 g/mol
LogP4.83
Rot. Bonds10

About ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate

ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate (PubChem CID 67187832) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate
PubChem CID67187832
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Nameethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate
SMILESCCOC(=O)C(CCCc1ccccc1)CCc1cccc(OC)c1
InChIInChI=1S/C22H28O3/c1-3-25-22(23)20(13-7-11-18-9-5-4-6-10-18)16-15-19-12-8-14-21(17-19)24-2/h4-6,8-10,12,14,17,20H,3,7,11,13,15-16H2,1-2H3
InChIKeyQJEBZOJRLAEVLV-UHFFFAOYSA-N
XLogP4.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoyl] 2-[2-(3-hydroxyphenyl)ethyl]-5-phenylpentanoate
CID 90874976
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate
CID 25418419
1-(3-methoxyphenyl)heptan-4-one
CID 64502649
5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432
ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate
CID 6736819
1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol
CID 101485664
ethyl 2-(ethylaminomethyl)-4-phenylbutanoate
CID 13191431
3-phenylpropyl 2-heptylundecanoate
CID 129279131
ethyl 2-(2-phenylethyl)-5,5-bis(phenylsulfanyl)pentanoate
CID 15501159
1-methoxy-3-nonadecylbenzene
CID 154507578
(2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one
CID 11781998

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate?
The IUPAC name of ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate (CID 67187832) is ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate.
What is the SMILES notation for ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate?
The canonical SMILES for ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate is CCOC(=O)C(CCCc1ccccc1)CCc1cccc(OC)c1.
What is the InChIKey of ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate?
The InChIKey is QJEBZOJRLAEVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-3-25-22(23)20(13-7-11-18-9-5-4-6-10-18)16-15-19-12-8-14-21(17-19)24-2/h4-6,8-10,12,14,17,20H,3,7,11,13,15-16H2,1-2H3.
What are the key properties of ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate?
ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate has a molecular weight of 340.46 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-methoxyphenyl)ethyl]-5-phenylpentanoate is sourced from PubChem (CID 67187832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).