4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol

C18H20O5 — CID 142671127

IUPAC4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol
SMILESCOCOc1cc(C=Cc2ccc(O)cc2)cc(OCOC)c1
InChIInChI=1S/C18H20O5/c1-20-12-22-17-9-15(10-18(11-17)23-13-21-2)4-3-14-5-7-16(19)8-6-14/h3-11,19H,12-13H2,1-2H3
InChIKeyKKSSHSZFMPBOQU-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.53
Rot. Bonds8

About 4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol

4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol (PubChem CID 142671127) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol
PubChem CID142671127
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol
SMILESCOCOc1cc(C=Cc2ccc(O)cc2)cc(OCOC)c1
InChIInChI=1S/C18H20O5/c1-20-12-22-17-9-15(10-18(11-17)23-13-21-2)4-3-14-5-7-16(19)8-6-14/h3-11,19H,12-13H2,1-2H3
InChIKeyKKSSHSZFMPBOQU-UHFFFAOYSA-N
XLogP3.53
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(methoxymethoxy)-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 71496849
[4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
CID 6918862
4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile
CID 57430908
4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol
CID 174686350
1-(methoxymethoxy)-4-[2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 5098450
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol
CID 57478513
4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
CID 58288557
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol
CID 130411171
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
O-silyl resveratrol
CID 171364243
[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 86305889

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol?
The IUPAC name of 4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol (CID 142671127) is 4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol.
What is the SMILES notation for 4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol?
The canonical SMILES for 4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol is COCOc1cc(C=Cc2ccc(O)cc2)cc(OCOC)c1.
What is the InChIKey of 4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol?
The InChIKey is KKSSHSZFMPBOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-20-12-22-17-9-15(10-18(11-17)23-13-21-2)4-3-14-5-7-16(19)8-6-14/h3-11,19H,12-13H2,1-2H3.
What are the key properties of 4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol?
4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol has a molecular weight of 316.35 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol is sourced from PubChem (CID 142671127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).