3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate

C30H24O6 — CID 160578050

IUPAC3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cccc(-c2cccc(OC(=O)C=C)c2)c1.Oc1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C18H14O4.C12H10O2/c1-3-17(19)21-15-9-5-7-13(11-15)14-8-6-10-16(12-14)22-18(20)4-2;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h3-12H,1-2H2;1-8,13-14H
InChIKeyRBKGIFJOHYTCCY-UHFFFAOYSA-N
MW480.52 g/mol
LogP6.30
Rot. Bonds6

About 3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate

3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate (PubChem CID 160578050) has the molecular formula C30H24O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
PubChem CID160578050
Molecular FormulaC30H24O6
Molecular Weight480.52 g/mol
Exact Mass480.16
IUPAC Name3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cccc(-c2cccc(OC(=O)C=C)c2)c1.Oc1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C18H14O4.C12H10O2/c1-3-17(19)21-15-9-5-7-13(11-15)14-8-6-10-16(12-14)22-18(20)4-2;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h3-12H,1-2H2;1-8,13-14H
InChIKeyRBKGIFJOHYTCCY-UHFFFAOYSA-N
XLogP6.30
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] 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

(3-hydroxy-4-phenylphenyl) prop-2-enoate
CID 175065018
[3-(2-chlorophenyl)phenyl] prop-2-enoate
CID 174588124
(3-fluorophenyl) prop-2-enoate
CID 21098293
(3-chlorophenyl) prop-2-enoate
CID 10241458
(3-carbonochloridoyloxyphenyl) prop-2-enoate
CID 174628554
[3-(2,6-diphenylpyrimidin-4-yl)phenyl] prop-2-enoate
CID 175448130
(3-hydroxyphenyl) 2-oxoacetate
CID 174444543
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
CID 157452976
CID 157452976
[3-(2,2-dichloroacetyl)oxyphenyl] prop-2-enoate
CID 91692780
(3-ethoxyphenyl) prop-2-enoate
CID 54380290
2-(3-hydroxyphenoxy)ethyl prop-2-enoate
CID 57126182

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
The IUPAC name of 3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate (CID 160578050) is 3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate.
What is the SMILES notation for 3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
The canonical SMILES for 3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate is C=CC(=O)Oc1cccc(-c2cccc(OC(=O)C=C)c2)c1.Oc1cccc(-c2cccc(O)c2)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
The InChIKey is RBKGIFJOHYTCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4.C12H10O2/c1-3-17(19)21-15-9-5-7-13(11-15)14-8-6-10-16(12-14)22-18(20)4-2;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h3-12H,1-2H2;1-8,13-14H.
What are the key properties of 3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate has a molecular weight of 480.52 g/mol, XLogP of 6.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate is sourced from PubChem (CID 160578050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).