[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

C25H26O6 — CID 89402377

IUPAC[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OC2CCC(OC(=O)/C=C/c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C25H26O6/c1-29-21-10-4-19(5-11-21)7-17-25(28)31-23-14-12-22(13-15-23)30-24(27)16-6-18-2-8-20(26)9-3-18/h2-11,16-17,22-23,26H,12-15H2,1H3/b16-6+,17-7+
InChIKeyQIQYUMJPUIMOEX-KGMKFKQSSA-N
MW422.48 g/mol
LogP4.53
Rot. Bonds7

About [4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 89402377) has the molecular formula C25H26O6 and a molecular weight of 422.48 g/mol. Its IUPAC name is [4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
PubChem CID89402377
Molecular FormulaC25H26O6
Molecular Weight422.48 g/mol
Exact Mass422.17
IUPAC Name[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OC2CCC(OC(=O)/C=C/c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C25H26O6/c1-29-21-10-4-19(5-11-21)7-17-25(28)31-23-14-12-22(13-15-23)30-24(27)16-6-18-2-8-20(26)9-3-18/h2-11,16-17,22-23,26H,12-15H2,1H3/b16-6+,17-7+
InChIKeyQIQYUMJPUIMOEX-KGMKFKQSSA-N
XLogP4.53
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6048720
[8-[4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-4-bicyclo[5.1.0]octanyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 145451136
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
[4-[(3Z)-5-[(2-methylpropan-2-yl)oxy]hexa-1,3,5-trien-2-yl]cyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 145451130
[4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate
CID 59360215
methyl 3-(4-methoxyphenyl)prop-2-eneperoxoate
CID 87945144
[6-[3-(4-methoxyphenyl)prop-2-enoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 3-(4-methoxyphenyl)prop-2-enoate
CID 76745950
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070
(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane
CID 67564177
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of [4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate (CID 89402377) is [4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for [4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for [4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)OC2CCC(OC(=O)/C=C/c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of [4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The InChIKey is QIQYUMJPUIMOEX-KGMKFKQSSA-N. The full InChI is InChI=1S/C25H26O6/c1-29-21-10-4-19(5-11-21)7-17-25(28)31-23-14-12-22(13-15-23)30-24(27)16-6-18-2-8-20(26)9-3-18/h2-11,16-17,22-23,26H,12-15H2,1H3/b16-6+,17-7+.
What are the key properties of [4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate?
[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 422.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 89402377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).