methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol

C34H40O6 — CID 159204290

IUPACmethane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
SMILESC.C.COc1ccc(/C=C/c2cc(O)cc(OC)c2)cc1.COc1ccc(/C=C\c2cc(O)cc(OC)c2)cc1
InChIInChI=1S/2C16H16O3.2CH4/c2*1-18-15-7-5-12(6-8-15)3-4-13-9-14(17)11-16(10-13)19-2;;/h2*3-11,17H,1-2H3;2*1H4/b4-3+;4-3-;;
InChIKeyKPRGEPWIMGGOOF-SKKUODCZSA-N
MW544.69 g/mol
LogP8.43
Rot. Bonds8

About methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol

methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol (PubChem CID 159204290) has the molecular formula C34H40O6 and a molecular weight of 544.69 g/mol. Its IUPAC name is methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Namemethane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
PubChem CID159204290
Molecular FormulaC34H40O6
Molecular Weight544.69 g/mol
Exact Mass544.28
IUPAC Namemethane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
SMILESC.C.COc1ccc(/C=C/c2cc(O)cc(OC)c2)cc1.COc1ccc(/C=C\c2cc(O)cc(OC)c2)cc1
InChIInChI=1S/2C16H16O3.2CH4/c2*1-18-15-7-5-12(6-8-15)3-4-13-9-14(17)11-16(10-13)19-2;;/h2*3-11,17H,1-2H3;2*1H4/b4-3+;4-3-;;
InChIKeyKPRGEPWIMGGOOF-SKKUODCZSA-N
XLogP8.43
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.69
LogP ≤ 58.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol?
The IUPAC name of methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol (CID 159204290) is methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol.
What is the SMILES notation for methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol?
The canonical SMILES for methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol is C.C.COc1ccc(/C=C/c2cc(O)cc(OC)c2)cc1.COc1ccc(/C=C\c2cc(O)cc(OC)c2)cc1.
What is the InChIKey of methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol?
The InChIKey is KPRGEPWIMGGOOF-SKKUODCZSA-N. The full InChI is InChI=1S/2C16H16O3.2CH4/c2*1-18-15-7-5-12(6-8-15)3-4-13-9-14(17)11-16(10-13)19-2;;/h2*3-11,17H,1-2H3;2*1H4/b4-3+;4-3-;;.
What are the key properties of methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol?
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol has a molecular weight of 544.69 g/mol, XLogP of 8.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 159204290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).