methyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate

C16H24O3 — CID 62394570

IUPACmethyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate
SMILESCCC(C(=O)OC)C(O)(CC(C)C)c1ccccc1
InChIInChI=1S/C16H24O3/c1-5-14(15(17)19-4)16(18,11-12(2)3)13-9-7-6-8-10-13/h6-10,12,14,18H,5,11H2,1-4H3
InChIKeySQFAKYJGVJMPGM-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.12
Rot. Bonds6

About methyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate

methyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate (PubChem CID 62394570) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate
PubChem CID62394570
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Namemethyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate
SMILESCCC(C(=O)OC)C(O)(CC(C)C)c1ccccc1
InChIInChI=1S/C16H24O3/c1-5-14(15(17)19-4)16(18,11-12(2)3)13-9-7-6-8-10-13/h6-10,12,14,18H,5,11H2,1-4H3
InChIKeySQFAKYJGVJMPGM-UHFFFAOYSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-ethyl-3-hydroxy-3-phenylpentanoate
CID 62394588
5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate
CID 11716297
ethyl 3-hydroxy-5-methyl-3-phenyl-2-propan-2-ylhexanoate
CID 62396401
methyl 2-(cyclopropyl-hydroxy-phenylmethyl)butanoate
CID 62395110
methyl 2-ethyl-3-hydroxy-5-methyl-3-(2-methylpropyl)hexanoate
CID 114868675
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
1-methoxy-3-methyl-2-phenylpentan-2-ol
CID 103465659
methyl 3-hydroxy-5-methyl-3-phenylhexanoate
CID 54095217
methyl 3-(4-bromophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394591
3-hydroxy-4-methoxy-2-methyl-3-phenylbutanoic acid
CID 103465941
methyl 2-amino-4,4-difluoro-4-phenylbutanoate
CID 66940111
ethyl 3-hydroxy-4-methoxy-3-phenyl-2-propan-2-ylbutanoate
CID 103465940

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate?
The IUPAC name of methyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate (CID 62394570) is methyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate.
What is the SMILES notation for methyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate?
The canonical SMILES for methyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate is CCC(C(=O)OC)C(O)(CC(C)C)c1ccccc1.
What is the InChIKey of methyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate?
The InChIKey is SQFAKYJGVJMPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-14(15(17)19-4)16(18,11-12(2)3)13-9-7-6-8-10-13/h6-10,12,14,18H,5,11H2,1-4H3.
What are the key properties of methyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate?
methyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate has a molecular weight of 264.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-3-hydroxy-5-methyl-3-phenylhexanoate is sourced from PubChem (CID 62394570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).