ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate

C15H22O4 — CID 66289830

IUPACethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate
SMILESCCOC(=O)C(O)C(C)CCc1ccc(OC)cc1
InChIInChI=1S/C15H22O4/c1-4-19-15(17)14(16)11(2)5-6-12-7-9-13(18-3)10-8-12/h7-11,14,16H,4-6H2,1-3H3
InChIKeyATXZXEBZVPPVAA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.19
Rot. Bonds7

About ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate

ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate (PubChem CID 66289830) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate
PubChem CID66289830
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate
SMILESCCOC(=O)C(O)C(C)CCc1ccc(OC)cc1
InChIInChI=1S/C15H22O4/c1-4-19-15(17)14(16)11(2)5-6-12-7-9-13(18-3)10-8-12/h7-11,14,16H,4-6H2,1-3H3
InChIKeyATXZXEBZVPPVAA-UHFFFAOYSA-N
XLogP2.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 10015086
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
ethyl 4-[2-(4-methoxyphenyl)ethyl]-6-methylheptanoate
CID 11472279
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
1-(4-methoxyphenyl)-4-methyloctan-3-ol
CID 114247161
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate
CID 159573119
ethyl 4-(4-methoxyphenyl)-2-(4-methylbenzoyl)butanoate
CID 118440277
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 63225839
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate?
The IUPAC name of ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate (CID 66289830) is ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate.
What is the SMILES notation for ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate?
The canonical SMILES for ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate is CCOC(=O)C(O)C(C)CCc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate?
The InChIKey is ATXZXEBZVPPVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-19-15(17)14(16)11(2)5-6-12-7-9-13(18-3)10-8-12/h7-11,14,16H,4-6H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate?
ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate has a molecular weight of 266.34 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate is sourced from PubChem (CID 66289830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).