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

C30H24O6 — CID 160674288

IUPAC2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1-c1ccccc1OC(=O)C=C.Oc1ccccc1-c1ccccc1O
InChIInChI=1S/C18H14O4.C12H10O2/c1-3-17(19)21-15-11-7-5-9-13(15)14-10-6-8-12-16(14)22-18(20)4-2;13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h3-12H,1-2H2;1-8,13-14H
InChIKeyRNIIGBFCGNWSBW-UHFFFAOYSA-N
MW480.52 g/mol
LogP6.30
Rot. Bonds6

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

2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate (PubChem CID 160674288) has the molecular formula C30H24O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
PubChem CID160674288
Molecular FormulaC30H24O6
Molecular Weight480.52 g/mol
Exact Mass480.16
IUPAC Name2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1-c1ccccc1OC(=O)C=C.Oc1ccccc1-c1ccccc1O
InChIInChI=1S/C18H14O4.C12H10O2/c1-3-17(19)21-15-11-7-5-9-13(15)14-10-6-8-12-16(14)22-18(20)4-2;13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h3-12H,1-2H2;1-8,13-14H
InChIKeyRNIIGBFCGNWSBW-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 2-(2-hydroxyphenyl)phenol;[2-(2-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

benzoic acid;(2-hydroxyphenyl) prop-2-enoate
CID 174625141
(2-methoxyphenyl) prop-2-enoate
CID 22987486
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
CID 89405419
[2-(2-hydroxyphenyl)phenyl] benzoate
CID 14400054
[4-(4-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenyl] prop-2-enoate
CID 163537860
naphthalen-1-yl prop-2-enoate
CID 10192638
phenyl 2-prop-2-enoyloxybenzoate
CID 10858474
CID 67461549
CID 67461549
(2-nitrooxyphenyl) prop-2-enoate
CID 142166891
(2-imidazo[1,2-a]pyridin-2-ylphenyl) prop-2-enoate
CID 172740674
[2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate
CID 138480747

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
The IUPAC name of 2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate (CID 160674288) is 2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate.
What is the SMILES notation for 2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
The canonical SMILES for 2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccccc1-c1ccccc1OC(=O)C=C.Oc1ccccc1-c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
The InChIKey is RNIIGBFCGNWSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4.C12H10O2/c1-3-17(19)21-15-11-7-5-9-13(15)14-10-6-8-12-16(14)22-18(20)4-2;13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h3-12H,1-2H2;1-8,13-14H.
What are the key properties of 2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate?
2-(2-hydroxyphenyl)phenol;[2-(2-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 2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate is sourced from PubChem (CID 160674288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).