ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate

C18H18O4 — CID 15718068

IUPACethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate
SMILESC=CCc1ccc(Oc2ccc(C(=O)OCC)cc2)cc1O
InChIInChI=1S/C18H18O4/c1-3-5-13-6-11-16(12-17(13)19)22-15-9-7-14(8-10-15)18(20)21-4-2/h3,6-12,19H,1,4-5H2,2H3
InChIKeyIIQDLDVFWODRNQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.09
Rot. Bonds6

About ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate

ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate (PubChem CID 15718068) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate.

Molecular Properties

Compound Nameethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate
PubChem CID15718068
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Nameethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate
SMILESC=CCc1ccc(Oc2ccc(C(=O)OCC)cc2)cc1O
InChIInChI=1S/C18H18O4/c1-3-5-13-6-11-16(12-17(13)19)22-15-9-7-14(8-10-15)18(20)21-4-2/h3,6-12,19H,1,4-5H2,2H3
InChIKeyIIQDLDVFWODRNQ-UHFFFAOYSA-N
XLogP4.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate 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

ethyl 4-[4-[8,14,20-tris[4-(4-ethoxycarbonylphenoxy)phenyl]-4,6,10,12,16,18,22,24-octahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]phenoxy]benzoate
CID 59414805
ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate
CID 132581911
ethyl 4-[4-(aminomethyl)phenoxy]benzoate
CID 66585359
ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
CID 4268945
ethyl 4-ethenyl-3,5-dihydroxybenzoate
CID 102254331
ethyl 4-prop-2-enoylbenzoate
CID 14093547
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate
CID 65019269
ethyl 4-(3-bromo-4-methanehydrazonoylphenoxy)benzoate
CID 168530326
ethyl 4-(4-acetyloxyphenyl)benzoate
CID 122206053
ethyl 4-[3-decoxy-4-(3-ethoxy-3-oxopropyl)phenoxy]benzoate
CID 15718071
bis(4-ethoxycarbonylphenyl) (Z)-but-2-enedioate
CID 58764671

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate?
The IUPAC name of ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate (CID 15718068) is ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate.
What is the SMILES notation for ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate?
The canonical SMILES for ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate is C=CCc1ccc(Oc2ccc(C(=O)OCC)cc2)cc1O.
What is the InChIKey of ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate?
The InChIKey is IIQDLDVFWODRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-5-13-6-11-16(12-17(13)19)22-15-9-7-14(8-10-15)18(20)21-4-2/h3,6-12,19H,1,4-5H2,2H3.
What are the key properties of ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate?
ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate has a molecular weight of 298.34 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-hydroxy-4-prop-2-enylphenoxy)benzoate is sourced from PubChem (CID 15718068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).