ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate

C14H18O3 — CID 66650377

IUPACethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate
SMILESCCOC(=O)CC(C)(O)C=Cc1ccccc1
InChIInChI=1S/C14H18O3/c1-3-17-13(15)11-14(2,16)10-9-12-7-5-4-6-8-12/h4-10,16H,3,11H2,1-2H3
InChIKeyXBRYZTMBSJETNR-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.40
Rot. Bonds5

About ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate

ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate (PubChem CID 66650377) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate
PubChem CID66650377
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate
SMILESCCOC(=O)CC(C)(O)C=Cc1ccccc1
InChIInChI=1S/C14H18O3/c1-3-17-13(15)11-14(2,16)10-9-12-7-5-4-6-8-12/h4-10,16H,3,11H2,1-2H3
InChIKeyXBRYZTMBSJETNR-UHFFFAOYSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
ethyl (E)-2,2-dimethyl-3-oxo-5-phenylpent-4-enoate
CID 102065413
diethyl 2-methyl-2-[(E)-3-phenylprop-2-enyl]propanedioate
CID 10957226
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
ethyl 3-hydroxy-3-phenylhex-4-enoate
CID 66650446
ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate
CID 163210308
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate
CID 155931906
diethyl 2-methyl-2-[3-(2-phenylethenyl)phenyl]propanedioate
CID 71380723
ethyl (E)-3-hydroxy-3-methyl-7-(4-phenylmethoxyphenyl)hept-4-enoate
CID 23466040
diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate
CID 134872871

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate?
The IUPAC name of ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate (CID 66650377) is ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate.
What is the SMILES notation for ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate?
The canonical SMILES for ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate is CCOC(=O)CC(C)(O)C=Cc1ccccc1.
What is the InChIKey of ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate?
The InChIKey is XBRYZTMBSJETNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-17-13(15)11-14(2,16)10-9-12-7-5-4-6-8-12/h4-10,16H,3,11H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate?
ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate has a molecular weight of 234.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate is sourced from PubChem (CID 66650377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).