methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate

C13H14O3 — CID 139700678

IUPACmethyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate
SMILESC=C(CC=Cc1ccc(O)cc1)C(=O)OC
InChIInChI=1S/C13H14O3/c1-10(13(15)16-2)4-3-5-11-6-8-12(14)9-7-11/h3,5-9,14H,1,4H2,2H3
InChIKeyXNUWONUPGGGDBM-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.52
Rot. Bonds4

About methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate

methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate (PubChem CID 139700678) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate.

Molecular Properties

Compound Namemethyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate
PubChem CID139700678
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namemethyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate
SMILESC=C(CC=Cc1ccc(O)cc1)C(=O)OC
InChIInChI=1S/C13H14O3/c1-10(13(15)16-2)4-3-5-11-6-8-12(14)9-7-11/h3,5-9,14H,1,4H2,2H3
InChIKeyXNUWONUPGGGDBM-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate
CID 66766714
methyl (E)-2-methylidene-6-phenylhex-5-enoate
CID 58412278
methyl (E,2E)-2-ethylidene-5-(4-methylphenyl)pent-4-enoate
CID 11665797
(E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one
CID 72722749
4-[(1E)-3-methoxybuta-1,3-dienyl]phenol
CID 144568960
methyl 6-amino-2-methylidene-6-oxohex-4-enoate
CID 87184506
octadecyl 2-methylidene-5-phenylpent-4-enoate
CID 70031046
methyl N-[(E)-2-(4-hydroxyphenyl)ethenyl]carbamate
CID 21422485
methyl 5-cyano-2-methylidenepent-4-enoate
CID 54328046
4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol
CID 57222494
[4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate
CID 166013014
methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate
CID 117266981

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate?
The IUPAC name of methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate (CID 139700678) is methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate.
What is the SMILES notation for methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate?
The canonical SMILES for methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate is C=C(CC=Cc1ccc(O)cc1)C(=O)OC.
What is the InChIKey of methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate?
The InChIKey is XNUWONUPGGGDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-10(13(15)16-2)4-3-5-11-6-8-12(14)9-7-11/h3,5-9,14H,1,4H2,2H3.
What are the key properties of methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate?
methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate has a molecular weight of 218.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate is sourced from PubChem (CID 139700678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).