[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate

C33H26O4 — CID 19171263

IUPAC[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate
SMILESCOc1cc(/C=C/c2cccc3ccccc23)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H26O4/c1-35-32-22-24(14-16-28-12-7-11-27-10-5-6-13-30(27)28)15-21-31(32)37-33(34)23-36-29-19-17-26(18-20-29)25-8-3-2-4-9-25/h2-22H,23H2,1H3/b16-14+
InChIKeyLKWBPHZMSTVDJB-JQIJEIRASA-N
MW486.57 g/mol
LogP7.67
Rot. Bonds8

About [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate

[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate (PubChem CID 19171263) has the molecular formula C33H26O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate.

Molecular Properties

Compound Name[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate
PubChem CID19171263
Molecular FormulaC33H26O4
Molecular Weight486.57 g/mol
Exact Mass486.18
IUPAC Name[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate
SMILESCOc1cc(/C=C/c2cccc3ccccc23)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H26O4/c1-35-32-22-24(14-16-28-12-7-11-27-10-5-6-13-30(27)28)15-21-31(32)37-33(34)23-36-29-19-17-26(18-20-29)25-8-3-2-4-9-25/h2-22H,23H2,1H3/b16-14+
InChIKeyLKWBPHZMSTVDJB-JQIJEIRASA-N
XLogP7.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 57.67
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-naphthalen-1-ylethenyl]phenyl] 2-(4-chloro-3,5-dimethylphenoxy)acetate
CID 19171250
[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 19171238
[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(4-propan-2-ylphenoxy)acetate
CID 5202902
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 2-(4-tert-butylphenoxy)acetate
CID 19171208
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetate
CID 19171210
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 19171202
[4-[(1,3-dioxoinden-2-ylidene)methyl]-2-methoxyphenyl] 2-[4-(4-methylphenyl)phenoxy]acetate
CID 19167157
[2-methoxy-4-(2-phenylethenyl)phenyl] 2-(2-methylphenoxy)acetate
CID 23996757
naphthalen-1-yl 2-(4-methoxyphenoxy)acetate
CID 7913820
(4-formyl-2-methoxyphenyl) 2-(4-chlorophenoxy)acetate
CID 39199766
[2-methoxy-4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6003509
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
CID 137496757

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate?
The IUPAC name of [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate (CID 19171263) is [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate.
What is the SMILES notation for [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate?
The canonical SMILES for [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate is COc1cc(/C=C/c2cccc3ccccc23)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate?
The InChIKey is LKWBPHZMSTVDJB-JQIJEIRASA-N. The full InChI is InChI=1S/C33H26O4/c1-35-32-22-24(14-16-28-12-7-11-27-10-5-6-13-30(27)28)15-21-31(32)37-33(34)23-36-29-19-17-26(18-20-29)25-8-3-2-4-9-25/h2-22H,23H2,1H3/b16-14+.
What are the key properties of [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate?
[2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate has a molecular weight of 486.57 g/mol, XLogP of 7.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(E)-2-naphthalen-1-ylethenyl]phenyl] 2-(4-phenylphenoxy)acetate is sourced from PubChem (CID 19171263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).