oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate

C14H16O4 — CID 77389680

IUPACoxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(O)cc1)OC1CCCCO1
InChIInChI=1S/C14H16O4/c15-12-7-4-11(5-8-12)6-9-13(16)18-14-3-1-2-10-17-14/h4-9,14-15H,1-3,10H2
InChIKeyUSQPWVMGDKBFRR-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.48
Rot. Bonds3

About oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate

oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 77389680) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameoxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
PubChem CID77389680
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Nameoxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(O)cc1)OC1CCCCO1
InChIInChI=1S/C14H16O4/c15-12-7-4-11(5-8-12)6-9-13(16)18-14-3-1-2-10-17-14/h4-9,14-15H,1-3,10H2
InChIKeyUSQPWVMGDKBFRR-UHFFFAOYSA-N
XLogP2.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze oxan-2-yl 3-(4-hydroxyphenyl)prop-2-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

oxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate
CID 77389677
bis(oxolan-2-yl) (E)-but-2-enedioate
CID 70212564
(Z)-4-(oxan-2-yloxy)-4-oxobut-2-enoate
CID 86745284
(E)-1-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 10808037
ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate
CID 142704315
[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 89402377
(E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide
CID 170189433
1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 146223486
[(1R,4S,6R,7R,11S)-4-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
CID 11393413
4-(oxan-2-yloxy)phenol
CID 11745519
3-[3,4-bis(oxan-2-yloxy)phenyl]prop-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 54211473
[4-[4-[3-(oxan-2-yloxy)propyl]phenyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 145390116

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate (CID 77389680) is oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate is O=C(C=Cc1ccc(O)cc1)OC1CCCCO1.
What is the InChIKey of oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate?
The InChIKey is USQPWVMGDKBFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c15-12-7-4-11(5-8-12)6-9-13(16)18-14-3-1-2-10-17-14/h4-9,14-15H,1-3,10H2.
What are the key properties of oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate?
oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 248.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 77389680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).