[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate

C26H26O4 — CID 5202902

IUPAC[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate
SMILESCOc1cc(C=Cc2ccccc2)ccc1OC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C26H26O4/c1-19(2)22-12-14-23(15-13-22)29-18-26(27)30-24-16-11-21(17-25(24)28-3)10-9-20-7-5-4-6-8-20/h4-17,19H,18H2,1-3H3
InChIKeyOOMRLAPGMXELSG-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.97
Rot. Bonds8

About [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate

[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate (PubChem CID 5202902) has the molecular formula C26H26O4 and a molecular weight of 402.49 g/mol. Its IUPAC name is [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate
PubChem CID5202902
Molecular FormulaC26H26O4
Molecular Weight402.49 g/mol
Exact Mass402.18
IUPAC Name[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate
SMILESCOc1cc(C=Cc2ccccc2)ccc1OC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C26H26O4/c1-19(2)22-12-14-23(15-13-22)29-18-26(27)30-24-16-11-21(17-25(24)28-3)10-9-20-7-5-4-6-8-20/h4-17,19H,18H2,1-3H3
InChIKeyOOMRLAPGMXELSG-UHFFFAOYSA-N
XLogP5.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 2-(4-tert-butylphenoxy)acetate
CID 19171208
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 19171202
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetate
CID 19171210
[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate
CID 23996757
[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate
CID 19171263
(4-formyl-2-methoxyphenyl) 2-(4-chlorophenoxy)acetate
CID 39199766
ethyl (E)-2-cyano-3-[3-methoxy-4-[2-(4-propan-2-ylphenoxy)acetyl]oxyphenyl]prop-2-enoate
CID 19172348
3-[4-methoxy-3-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22686274
[4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-(4-propan-2-ylphenoxy)acetate
CID 19217508
[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-chloro-3,5-dimethylphenoxy)acetate
CID 19171250
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 2,3,3-triphenylpropanoate
CID 19171169
(4-benzoyl-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate
CID 19179774

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate (CID 5202902) is [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate is COc1cc(C=Cc2ccccc2)ccc1OC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate?
The InChIKey is OOMRLAPGMXELSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O4/c1-19(2)22-12-14-23(15-13-22)29-18-26(27)30-24-16-11-21(17-25(24)28-3)10-9-20-7-5-4-6-8-20/h4-17,19H,18H2,1-3H3.
What are the key properties of [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate?
[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate has a molecular weight of 402.49 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 5202902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).