methyl 2-(3-ethylphenyl)pentanoate

C14H20O2 — CID 142878372

IUPACmethyl 2-(3-ethylphenyl)pentanoate
SMILESCCCC(C(=O)OC)c1cccc(CC)c1
InChIInChI=1S/C14H20O2/c1-4-7-13(14(15)16-3)12-9-6-8-11(5-2)10-12/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyHCRQKWJEIMUUOB-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.31
Rot. Bonds5

About methyl 2-(3-ethylphenyl)pentanoate

methyl 2-(3-ethylphenyl)pentanoate (PubChem CID 142878372) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is methyl 2-(3-ethylphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(3-ethylphenyl)pentanoate
PubChem CID142878372
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Namemethyl 2-(3-ethylphenyl)pentanoate
SMILESCCCC(C(=O)OC)c1cccc(CC)c1
InChIInChI=1S/C14H20O2/c1-4-7-13(14(15)16-3)12-9-6-8-11(5-2)10-12/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyHCRQKWJEIMUUOB-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[3-(2-methylpropyl)phenyl]hexanoate
CID 116545509
methyl 2-(3-propylphenyl)butanoate
CID 116545494
methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate
CID 112508521
methyl (2S)-2-(4-tert-butylphenyl)pentanoate
CID 93492943
methyl 2-phenylheptanoate
CID 143443478
methyl 3-methoxy-2-(3-methylphenyl)propanoate
CID 117243517
methyl 3-methoxy-2-(3-methoxyphenyl)propanoate
CID 117243532
methyl (2S)-2-[4-(4-hydroxybutyl)phenyl]pentanoate
CID 129385029
methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
2-(3-aminophenyl)pentanoic acid
CID 119088607
1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine
CID 105018498
1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719527

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethylphenyl)pentanoate?
The IUPAC name of methyl 2-(3-ethylphenyl)pentanoate (CID 142878372) is methyl 2-(3-ethylphenyl)pentanoate.
What is the SMILES notation for methyl 2-(3-ethylphenyl)pentanoate?
The canonical SMILES for methyl 2-(3-ethylphenyl)pentanoate is CCCC(C(=O)OC)c1cccc(CC)c1.
What is the InChIKey of methyl 2-(3-ethylphenyl)pentanoate?
The InChIKey is HCRQKWJEIMUUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-7-13(14(15)16-3)12-9-6-8-11(5-2)10-12/h6,8-10,13H,4-5,7H2,1-3H3.
What are the key properties of methyl 2-(3-ethylphenyl)pentanoate?
methyl 2-(3-ethylphenyl)pentanoate has a molecular weight of 220.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethylphenyl)pentanoate is sourced from PubChem (CID 142878372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).