[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate

C18H16O6 — CID 67721243

IUPAC[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate
SMILESCOC(=O)Oc1cccc(/C=C\c2cccc(OC(=O)OC)c2)c1
InChIInChI=1S/C18H16O6/c1-21-17(19)23-15-7-3-5-13(11-15)9-10-14-6-4-8-16(12-14)24-18(20)22-2/h3-12H,1-2H3/b10-9-
InChIKeyLUSQPSVXBBNPMZ-KTKRTIGZSA-N
MW328.32 g/mol
LogP4.15
Rot. Bonds4

About [3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate

[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate (PubChem CID 67721243) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is [3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate.

Molecular Properties

Compound Name[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate
PubChem CID67721243
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate
SMILESCOC(=O)Oc1cccc(/C=C\c2cccc(OC(=O)OC)c2)c1
InChIInChI=1S/C18H16O6/c1-21-17(19)23-15-7-3-5-13(11-15)9-10-14-6-4-8-16(12-14)24-18(20)22-2/h3-12H,1-2H3/b10-9-
InChIKeyLUSQPSVXBBNPMZ-KTKRTIGZSA-N
XLogP4.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3-methoxyphenyl) methyl carbonate
CID 91439212
[3-[(4E)-5-(3-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate
CID 5356080
[3-[(1Z,4Z)-5-(3-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate
CID 92532658
[3-[(4E)-5-(3-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate
CID 5356079
[3-[(E)-2-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 155004805
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
methyl 3-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxybenzoate
CID 7924254
[2-[2-(3-fluorophenyl)ethenyl]phenyl] methyl carbonate
CID 91418550
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
CID 139796545
methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate
CID 170944144

Frequently Asked Questions

What is the IUPAC name of [3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate?
The IUPAC name of [3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate (CID 67721243) is [3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate.
What is the SMILES notation for [3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate?
The canonical SMILES for [3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate is COC(=O)Oc1cccc(/C=C\c2cccc(OC(=O)OC)c2)c1.
What is the InChIKey of [3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate?
The InChIKey is LUSQPSVXBBNPMZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H16O6/c1-21-17(19)23-15-7-3-5-13(11-15)9-10-14-6-4-8-16(12-14)24-18(20)22-2/h3-12H,1-2H3/b10-9-.
What are the key properties of [3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate?
[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate has a molecular weight of 328.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate is sourced from PubChem (CID 67721243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).