[(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate

C20H22O4 — CID 101184767

IUPAC[(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC/C=C\COCc2ccccc2)cc1
InChIInChI=1S/C20H22O4/c1-22-19-11-9-17(10-12-19)15-20(21)24-14-6-5-13-23-16-18-7-3-2-4-8-18/h2-12H,13-16H2,1H3/b6-5-
InChIKeyCYXCFYHETOSYBV-WAYWQWQTSA-N
MW326.39 g/mol
LogP3.55
Rot. Bonds9

About [(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate

[(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate (PubChem CID 101184767) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is [(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate
PubChem CID101184767
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name[(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC/C=C\COCc2ccccc2)cc1
InChIInChI=1S/C20H22O4/c1-22-19-11-9-17(10-12-19)15-20(21)24-14-6-5-13-23-16-18-7-3-2-4-8-18/h2-12H,13-16H2,1H3/b6-5-
InChIKeyCYXCFYHETOSYBV-WAYWQWQTSA-N
XLogP3.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methoxyphenyl)methoxy]but-2-enyl butanoate
CID 150190226
4-(2-phenylacetyl)oxybut-2-enyl 2-phenylacetate
CID 139775168
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
[(E)-4-phenylmethoxybut-2-enyl] N-[(4-methoxybenzoyl)amino]carbamate
CID 45109533
[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate
CID 140503961
[(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate
CID 11265094
1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene
CID 57408009
(2-methoxyphenyl)methyl 2-(4-methoxyphenyl)acetate
CID 78760060
[(E)-3-chloroprop-2-enyl] 2-phenylacetate
CID 5353051
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
CID 20537091

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate (CID 101184767) is [(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OC/C=C\COCc2ccccc2)cc1.
What is the InChIKey of [(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is CYXCFYHETOSYBV-WAYWQWQTSA-N. The full InChI is InChI=1S/C20H22O4/c1-22-19-11-9-17(10-12-19)15-20(21)24-14-6-5-13-23-16-18-7-3-2-4-8-18/h2-12H,13-16H2,1H3/b6-5-.
What are the key properties of [(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate?
[(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 326.39 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 101184767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).