[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate

C27H24O3 — CID 155673364

IUPAC[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC(=O)C=Cc2ccccc2)c1
InChIInChI=1S/C27H24O3/c1-3-8-21-12-15-25(28)23(18-21)24-19-22(9-4-2)13-16-26(24)30-27(29)17-14-20-10-6-5-7-11-20/h3-7,10-19,28H,1-2,8-9H2
InChIKeyBTOXMGWZPLMAPP-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.14
Rot. Bonds8

About [2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate

[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate (PubChem CID 155673364) has the molecular formula C27H24O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate
PubChem CID155673364
Molecular FormulaC27H24O3
Molecular Weight396.49 g/mol
Exact Mass396.17
IUPAC Name[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC(=O)C=Cc2ccccc2)c1
InChIInChI=1S/C27H24O3/c1-3-8-21-12-15-25(28)23(18-21)24-19-22(9-4-2)13-16-26(24)30-27(29)17-14-20-10-6-5-7-11-20/h3-7,10-19,28H,1-2,8-9H2
InChIKeyBTOXMGWZPLMAPP-UHFFFAOYSA-N
XLogP6.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 118955388
ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823
[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 127027850
2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene
CID 78421503
1-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]propane-1,2-diol
CID 5319207
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol
CID 54509125
3-[2-(5-ethenyl-2-hydroxyphenyl)-4-prop-2-enylphenoxy]-1-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol
CID 24861536
(3-ethyl-4-prop-2-enoyloxyphenyl) (E)-3-phenylprop-2-enoate
CID 59668576
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate
CID 174918165
5-bromo-2-[(E)-3-phenylprop-2-enoyl]oxybenzoic acid
CID 54854493

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate?
The IUPAC name of [2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate (CID 155673364) is [2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate.
What is the SMILES notation for [2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate?
The canonical SMILES for [2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate is C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC(=O)C=Cc2ccccc2)c1.
What is the InChIKey of [2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate?
The InChIKey is BTOXMGWZPLMAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O3/c1-3-8-21-12-15-25(28)23(18-21)24-19-22(9-4-2)13-16-26(24)30-27(29)17-14-20-10-6-5-7-11-20/h3-7,10-19,28H,1-2,8-9H2.
What are the key properties of [2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate?
[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate has a molecular weight of 396.49 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] 3-phenylprop-2-enoate is sourced from PubChem (CID 155673364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).