[4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate

C24H20O5 — CID 3494985

IUPAC[4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C(=O)C=Cc3cccc(OC)c3)cc2)cc1
InChIInChI=1S/C24H20O5/c1-27-20-11-9-19(10-12-20)24(26)29-21-13-7-18(8-14-21)23(25)15-6-17-4-3-5-22(16-17)28-2/h3-16H,1-2H3
InChIKeyHAYROVPUYCHKEJ-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.82
Rot. Bonds7

About [4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate

[4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate (PubChem CID 3494985) has the molecular formula C24H20O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is [4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate
PubChem CID3494985
Molecular FormulaC24H20O5
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Name[4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C(=O)C=Cc3cccc(OC)c3)cc2)cc1
InChIInChI=1S/C24H20O5/c1-27-20-11-9-19(10-12-20)24(26)29-21-13-7-18(8-14-21)23(25)15-6-17-4-3-5-22(16-17)28-2/h3-16H,1-2H3
InChIKeyHAYROVPUYCHKEJ-UHFFFAOYSA-N
XLogP4.82
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-methoxybenzoate
CID 5088437
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
[3-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
CID 6267234
[3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate
CID 3509938
[3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 3,4-dimethoxybenzoate
CID 5089620
[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 2-bromobenzoate
CID 6124458
[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl] 3-methoxybenzoate
CID 6267304
(E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 5346015
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 3-methoxybenzoate
CID 6267354
[3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] cyclopropanecarboxylate
CID 3629356
3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 91944332

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate?
The IUPAC name of [4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate (CID 3494985) is [4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate?
The canonical SMILES for [4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(C(=O)C=Cc3cccc(OC)c3)cc2)cc1.
What is the InChIKey of [4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate?
The InChIKey is HAYROVPUYCHKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O5/c1-27-20-11-9-19(10-12-20)24(26)29-21-13-7-18(8-14-21)23(25)15-6-17-4-3-5-22(16-17)28-2/h3-16H,1-2H3.
What are the key properties of [4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate?
[4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate has a molecular weight of 388.42 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 3494985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).