(3-hydroxy-4-phenylphenyl) prop-2-enoate

C15H12O3 — CID 175065018

IUPAC(3-hydroxy-4-phenylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccccc2)c(O)c1
InChIInChI=1S/C15H12O3/c1-2-15(17)18-12-8-9-13(14(16)10-12)11-6-4-3-5-7-11/h2-10,16H,1H2
InChIKeyMPJFAHQJDXNQRC-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.15
Rot. Bonds3

About (3-hydroxy-4-phenylphenyl) prop-2-enoate

(3-hydroxy-4-phenylphenyl) prop-2-enoate (PubChem CID 175065018) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (3-hydroxy-4-phenylphenyl) prop-2-enoate.

Molecular Properties

Compound Name(3-hydroxy-4-phenylphenyl) prop-2-enoate
PubChem CID175065018
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(3-hydroxy-4-phenylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccccc2)c(O)c1
InChIInChI=1S/C15H12O3/c1-2-15(17)18-12-8-9-13(14(16)10-12)11-6-4-3-5-7-11/h2-10,16H,1H2
InChIKeyMPJFAHQJDXNQRC-UHFFFAOYSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.15
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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Related Compounds

3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160578050
[3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate
CID 136822877
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
[4-(4-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenyl] prop-2-enoate
CID 163537860
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[3-(2-chlorophenyl)phenyl] prop-2-enoate
CID 174588124
(6-methyl-2,3-diphenylphenyl) prop-2-enoate
CID 174611973
(6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate
CID 155221961
phenyl prop-2-enoate;triphenylene
CID 159225619
(3-ethyl-4-hydroxyphenyl) prop-2-enoate
CID 174614583

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-phenylphenyl) prop-2-enoate?
The IUPAC name of (3-hydroxy-4-phenylphenyl) prop-2-enoate (CID 175065018) is (3-hydroxy-4-phenylphenyl) prop-2-enoate.
What is the SMILES notation for (3-hydroxy-4-phenylphenyl) prop-2-enoate?
The canonical SMILES for (3-hydroxy-4-phenylphenyl) prop-2-enoate is C=CC(=O)Oc1ccc(-c2ccccc2)c(O)c1.
What is the InChIKey of (3-hydroxy-4-phenylphenyl) prop-2-enoate?
The InChIKey is MPJFAHQJDXNQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-2-15(17)18-12-8-9-13(14(16)10-12)11-6-4-3-5-7-11/h2-10,16H,1H2.
What are the key properties of (3-hydroxy-4-phenylphenyl) prop-2-enoate?
(3-hydroxy-4-phenylphenyl) prop-2-enoate has a molecular weight of 240.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-phenylphenyl) prop-2-enoate is sourced from PubChem (CID 175065018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).