methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate

C12H14O3 — CID 117267991

IUPACmethyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate
SMILESCOC(=O)C/C=C\Cc1ccc(O)cc1
InChIInChI=1S/C12H14O3/c1-15-12(14)5-3-2-4-10-6-8-11(13)9-7-10/h2-3,6-9,13H,4-5H2,1H3/b3-2-
InChIKeyBLKJZQIILLQOAE-IHWYPQMZSA-N
MW206.24 g/mol
LogP2.05
Rot. Bonds4

About methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate

methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate (PubChem CID 117267991) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate
PubChem CID117267991
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate
SMILESCOC(=O)C/C=C\Cc1ccc(O)cc1
InChIInChI=1S/C12H14O3/c1-15-12(14)5-3-2-4-10-6-8-11(13)9-7-10/h2-3,6-9,13H,4-5H2,1H3/b3-2-
InChIKeyBLKJZQIILLQOAE-IHWYPQMZSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2Z,7E)-1,9-bis(4-hydroxyphenyl)nona-2,7-diene-4,6-dione
CID 131752689
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
methyl (E)-5-(2-fluorophenyl)pent-3-enoate
CID 101147953
methyl (E)-5-(2-methoxyphenyl)pent-3-enoate
CID 101147955
methyl (Z)-5-(2-bromophenyl)pent-3-enoate
CID 117267944
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate
CID 159047656
methyl (E)-6-oxohept-3-enoate
CID 58421988
methyl (E)-5-[2-[methyl(nitroso)amino]phenyl]pent-3-enoate
CID 172777186
methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate
CID 121274529
methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate
CID 118240850

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate?
The IUPAC name of methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate (CID 117267991) is methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate.
What is the SMILES notation for methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate?
The canonical SMILES for methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate is COC(=O)C/C=C\Cc1ccc(O)cc1.
What is the InChIKey of methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate?
The InChIKey is BLKJZQIILLQOAE-IHWYPQMZSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-12(14)5-3-2-4-10-6-8-11(13)9-7-10/h2-3,6-9,13H,4-5H2,1H3/b3-2-.
What are the key properties of methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate?
methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate has a molecular weight of 206.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate is sourced from PubChem (CID 117267991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).