ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate

C17H26O4 — CID 83052460

IUPACethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate
SMILESCCCC(O)(C(=O)OCC)C(C)c1cc(C)ccc1OC
InChIInChI=1S/C17H26O4/c1-6-10-17(19,16(18)21-7-2)13(4)14-11-12(3)8-9-15(14)20-5/h8-9,11,13,19H,6-7,10H2,1-5H3
InChIKeyDVPMXZFXHNRAIV-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.20
Rot. Bonds7

About ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate

ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate (PubChem CID 83052460) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate
PubChem CID83052460
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Nameethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate
SMILESCCCC(O)(C(=O)OCC)C(C)c1cc(C)ccc1OC
InChIInChI=1S/C17H26O4/c1-6-10-17(19,16(18)21-7-2)13(4)14-11-12(3)8-9-15(14)20-5/h8-9,11,13,19H,6-7,10H2,1-5H3
InChIKeyDVPMXZFXHNRAIV-UHFFFAOYSA-N
XLogP3.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
ethyl 2-[1-(3,4-dimethylphenyl)ethyl]-2-hydroxypentanoate
CID 83050862
ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate
CID 79298581
ethyl 2-hydroxy-2-[1-(5-methylthiophen-2-yl)ethyl]pentanoate
CID 83051484
2-(2-methoxy-5-methylphenyl)pentan-3-one
CID 79308264
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
3-(2-methoxy-5-methylphenyl)hexanoic acid
CID 112501926
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate
CID 43732405
ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate
CID 5022792
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate
CID 115352551
ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate
CID 79299005
ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate
CID 79298689

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate?
The IUPAC name of ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate (CID 83052460) is ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate?
The canonical SMILES for ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate is CCCC(O)(C(=O)OCC)C(C)c1cc(C)ccc1OC.
What is the InChIKey of ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate?
The InChIKey is DVPMXZFXHNRAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-6-10-17(19,16(18)21-7-2)13(4)14-11-12(3)8-9-15(14)20-5/h8-9,11,13,19H,6-7,10H2,1-5H3.
What are the key properties of ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate?
ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate has a molecular weight of 294.39 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate is sourced from PubChem (CID 83052460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).