methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate

C13H16O3 — CID 102353733

IUPACmethyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate
SMILESC=C(CC(C)(O)C(=O)OC)c1ccccc1
InChIInChI=1S/C13H16O3/c1-10(11-7-5-4-6-8-11)9-13(2,15)12(14)16-3/h4-8,15H,1,9H2,2-3H3
InChIKeyPWZVBAZTSVPSOV-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.01
Rot. Bonds4

About methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate

methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate (PubChem CID 102353733) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate
PubChem CID102353733
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate
SMILESC=C(CC(C)(O)C(=O)OC)c1ccccc1
InChIInChI=1S/C13H16O3/c1-10(11-7-5-4-6-8-11)9-13(2,15)12(14)16-3/h4-8,15H,1,9H2,2-3H3
InChIKeyPWZVBAZTSVPSOV-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[(R)-tert-butylsulfinyl]amino]-2-ethyl-4-phenylpent-4-enoate
CID 91219816
methyl 2,2-dimethyl-4-oxo-4-phenylbutanoate
CID 18948507
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid
CID 89306235
methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate
CID 177459187
methyl 2,2-dihydroxy-3-oxo-3-phenylpropanoate
CID 10081832
methyl 2-hydroxy-4,4-dimethyl-3-oxo-2-phenylpentanoate
CID 24976781
methyl 3-[(2,2-difluoro-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoate
CID 167942716
3-phenylbut-3-enoic acid
CID 10702134
methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate
CID 102173229
1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea
CID 146169849
methyl (2S)-3-bromo-2-hydroxy-2-phenylpropanoate
CID 99866628

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate (CID 102353733) is methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate is C=C(CC(C)(O)C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate?
The InChIKey is PWZVBAZTSVPSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-10(11-7-5-4-6-8-11)9-13(2,15)12(14)16-3/h4-8,15H,1,9H2,2-3H3.
What are the key properties of methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate?
methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate has a molecular weight of 220.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate is sourced from PubChem (CID 102353733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).