phenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate

C17H16O3 — CID 174718415

IUPACphenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate
SMILESC=C(C(=O)Oc1ccccc1)c1cccc(CCO)c1
InChIInChI=1S/C17H16O3/c1-13(15-7-5-6-14(12-15)10-11-18)17(19)20-16-8-3-2-4-9-16/h2-9,12,18H,1,10-11H2
InChIKeyAODQDDJKWHTBHB-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.84
Rot. Bonds5

About phenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate

phenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate (PubChem CID 174718415) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is phenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namephenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate
PubChem CID174718415
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namephenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate
SMILESC=C(C(=O)Oc1ccccc1)c1cccc(CCO)c1
InChIInChI=1S/C17H16O3/c1-13(15-7-5-6-14(12-15)10-11-18)17(19)20-16-8-3-2-4-9-16/h2-9,12,18H,1,10-11H2
InChIKeyAODQDDJKWHTBHB-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate?
The IUPAC name of phenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate (CID 174718415) is phenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate.
What is the SMILES notation for phenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate?
The canonical SMILES for phenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate is C=C(C(=O)Oc1ccccc1)c1cccc(CCO)c1.
What is the InChIKey of phenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate?
The InChIKey is AODQDDJKWHTBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-13(15-7-5-6-14(12-15)10-11-18)17(19)20-16-8-3-2-4-9-16/h2-9,12,18H,1,10-11H2.
What are the key properties of phenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate?
phenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate has a molecular weight of 268.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[3-(2-hydroxyethyl)phenyl]prop-2-enoate is sourced from PubChem (CID 174718415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).