[4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate

C26H26O3 — CID 118402998

IUPAC[4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate
SMILESC=CC(=O)Oc1c(C)cc(C(c2ccccc2)c2cc(C)c(O)c(C)c2)cc1C
InChIInChI=1S/C26H26O3/c1-6-23(27)29-26-18(4)14-22(15-19(26)5)24(20-10-8-7-9-11-20)21-12-16(2)25(28)17(3)13-21/h6-15,24,28H,1H2,2-5H3
InChIKeyZBWTYENKCHGCBP-UHFFFAOYSA-N
MW386.49 g/mol
LogP5.90
Rot. Bonds5

About [4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate

[4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate (PubChem CID 118402998) has the molecular formula C26H26O3 and a molecular weight of 386.49 g/mol. Its IUPAC name is [4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate
PubChem CID118402998
Molecular FormulaC26H26O3
Molecular Weight386.49 g/mol
Exact Mass386.19
IUPAC Name[4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate
SMILESC=CC(=O)Oc1c(C)cc(C(c2ccccc2)c2cc(C)c(O)c(C)c2)cc1C
InChIInChI=1S/C26H26O3/c1-6-23(27)29-26-18(4)14-22(15-19(26)5)24(20-10-8-7-9-11-20)21-12-16(2)25(28)17(3)13-21/h6-15,24,28H,1H2,2-5H3
InChIKeyZBWTYENKCHGCBP-UHFFFAOYSA-N
XLogP5.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 55.90
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate with MolForge

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Related Compounds

[4-[[4-[bis(3,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]phenyl]-(3,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate
CID 163521211
[2-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl] prop-2-enoate
CID 118403033
[4-[2-(4-benzhydrylphenyl)ethenyl]phenyl] prop-2-enoate
CID 58203279
[2,6-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl] prop-2-enoate
CID 90778654
4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol
CID 139962444
[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 90224723
(2-formyl-6-methylphenyl) prop-2-enoate
CID 89358403
(6-methyl-2,3-diphenylphenyl) prop-2-enoate
CID 174611973
phenyl prop-2-enoate;triphenylene
CID 159225619
1-phenylethyl prop-2-enoate
CID 175321764
4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;nitromethane
CID 139145272
[4-[bis(2,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 102112166

Frequently Asked Questions

What is the IUPAC name of [4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate?
The IUPAC name of [4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate (CID 118402998) is [4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate.
What is the SMILES notation for [4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate?
The canonical SMILES for [4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate is C=CC(=O)Oc1c(C)cc(C(c2ccccc2)c2cc(C)c(O)c(C)c2)cc1C.
What is the InChIKey of [4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate?
The InChIKey is ZBWTYENKCHGCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O3/c1-6-23(27)29-26-18(4)14-22(15-19(26)5)24(20-10-8-7-9-11-20)21-12-16(2)25(28)17(3)13-21/h6-15,24,28H,1H2,2-5H3.
What are the key properties of [4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate?
[4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate has a molecular weight of 386.49 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate is sourced from PubChem (CID 118402998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).