methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate

C14H18O3 — CID 71413804

IUPACmethyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate
SMILESCOC(=O)CCC=Cc1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H18O3/c1-10-8-12(9-11(2)14(10)16)6-4-5-7-13(15)17-3/h4,6,8-9,16H,5,7H2,1-3H3
InChIKeyQVRHRCYQKPJDNA-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.98
Rot. Bonds4

About methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate

methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate (PubChem CID 71413804) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate.

Molecular Properties

Compound Namemethyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate
PubChem CID71413804
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namemethyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate
SMILESCOC(=O)CCC=Cc1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H18O3/c1-10-8-12(9-11(2)14(10)16)6-4-5-7-13(15)17-3/h4,6,8-9,16H,5,7H2,1-3H3
InChIKeyQVRHRCYQKPJDNA-UHFFFAOYSA-N
XLogP2.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-hydroxy-3,5-dimethylphenyl)but-3-enoate
CID 170796048
dimethyl (E)-oct-4-enedioate
CID 15585051
ethyl 5-(4-acetyloxy-3,5-dimethylphenyl)pent-4-enoate
CID 71413805
4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
CID 54449458
N-[4-(3-chloro-4-hydroxy-5-methylphenyl)but-3-enyl]acetamide
CID 170488562
methyl (E)-12-(4-methylphenyl)dodec-11-enoate
CID 169218729
ethyl (E)-5-(2,3-dihydroxy-4-methylphenyl)pent-4-enoate
CID 176649613
2-chloro-6-methyl-4-[4-(methylamino)but-1-enyl]phenol
CID 170495653
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
CID 117283631
9H-fluoren-9-ylmethyl N-[4-(4-hydroxy-3,5-dimethylphenyl)but-3-enyl]carbamate
CID 170492162
methyl (Z)-oct-4-enoate
CID 5352774
methyl 6-[[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]carbamothioylamino]hexanoate
CID 135788193

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate?
The IUPAC name of methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate (CID 71413804) is methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate.
What is the SMILES notation for methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate?
The canonical SMILES for methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate is COC(=O)CCC=Cc1cc(C)c(O)c(C)c1.
What is the InChIKey of methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate?
The InChIKey is QVRHRCYQKPJDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-8-12(9-11(2)14(10)16)6-4-5-7-13(15)17-3/h4,6,8-9,16H,5,7H2,1-3H3.
What are the key properties of methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate?
methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate has a molecular weight of 234.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-hydroxy-3,5-dimethylphenyl)pent-4-enoate is sourced from PubChem (CID 71413804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).