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

C14H20O3 — CID 62394189

IUPACmethyl 3-hydroxy-2-methyl-5-phenylhexanoate
SMILESCOC(=O)C(C)C(O)CC(C)c1ccccc1
InChIInChI=1S/C14H20O3/c1-10(12-7-5-4-6-8-12)9-13(15)11(2)14(16)17-3/h4-8,10-11,13,15H,9H2,1-3H3
InChIKeyFMANNMVSMCTHHI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.35
Rot. Bonds5

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

methyl 3-hydroxy-2-methyl-5-phenylhexanoate (PubChem CID 62394189) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methyl-5-phenylhexanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methyl-5-phenylhexanoate
PubChem CID62394189
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 3-hydroxy-2-methyl-5-phenylhexanoate
SMILESCOC(=O)C(C)C(O)CC(C)c1ccccc1
InChIInChI=1S/C14H20O3/c1-10(12-7-5-4-6-8-12)9-13(15)11(2)14(16)17-3/h4-8,10-11,13,15H,9H2,1-3H3
InChIKeyFMANNMVSMCTHHI-UHFFFAOYSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
ethane;methyl 2-methyl-3-phenylbutanoate
CID 161408482
ethyl 3-hydroxy-5-phenyl-2-propan-2-ylhexanoate
CID 62399205
methyl (2S,3R)-3-fluoro-2-methyl-3-phenylpropanoate
CID 12617133
methyl (2S,3S)-3-fluoro-2-methyl-3-phenylpropanoate
CID 23234221
methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
CID 11459047
methyl 4-amino-2-phenylpentanoate
CID 57041145
methyl 2-methyl-3-(2-phenylpropylamino)propanoate
CID 104591422
methyl 4-phenyl-2-(prop-2-enylamino)pentanoate
CID 62353675
3-phenylbutane-1,1-diol
CID 18417931
methyl 2-hydroxy-3-phenylbutanoate
CID 14023743
4-hydroxy-2-methoxycarbonyl-4-phenylbutanoic acid
CID 103973363

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methyl-5-phenylhexanoate?
The IUPAC name of methyl 3-hydroxy-2-methyl-5-phenylhexanoate (CID 62394189) is methyl 3-hydroxy-2-methyl-5-phenylhexanoate.
What is the SMILES notation for methyl 3-hydroxy-2-methyl-5-phenylhexanoate?
The canonical SMILES for methyl 3-hydroxy-2-methyl-5-phenylhexanoate is COC(=O)C(C)C(O)CC(C)c1ccccc1.
What is the InChIKey of methyl 3-hydroxy-2-methyl-5-phenylhexanoate?
The InChIKey is FMANNMVSMCTHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(12-7-5-4-6-8-12)9-13(15)11(2)14(16)17-3/h4-8,10-11,13,15H,9H2,1-3H3.
What are the key properties of methyl 3-hydroxy-2-methyl-5-phenylhexanoate?
methyl 3-hydroxy-2-methyl-5-phenylhexanoate has a molecular weight of 236.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methyl-5-phenylhexanoate is sourced from PubChem (CID 62394189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).