2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol

C18H20O4 — CID 140835234

IUPAC2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol
SMILESCOc1ccc(COC/C=C/c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C18H20O4/c1-20-16-8-5-15(6-9-16)13-22-11-3-4-14-7-10-17(19)18(12-14)21-2/h3-10,12,19H,11,13H2,1-2H3/b4-3+
InChIKeyQLGBUPSVZVVYLH-ONEGZZNKSA-N
MW300.35 g/mol
LogP3.64
Rot. Bonds7

About 2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol

2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol (PubChem CID 140835234) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol
PubChem CID140835234
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol
SMILESCOc1ccc(COC/C=C/c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C18H20O4/c1-20-16-8-5-15(6-9-16)13-22-11-3-4-14-7-10-17(19)18(12-14)21-2/h3-10,12,19H,11,13H2,1-2H3/b4-3+
InChIKeyQLGBUPSVZVVYLH-ONEGZZNKSA-N
XLogP3.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene
CID 11174476
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol
CID 73182651
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene
CID 57408009
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
CID 169465296
(4-hydroxy-3-methoxyphenyl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 175420100
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 146223481
(4-methylphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2551665
(E)-6-[(4-methoxyphenyl)methoxy]-3,3-dimethylhex-4-en-2-one
CID 58932908

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol (CID 140835234) is 2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol is COc1ccc(COC/C=C/c2ccc(O)c(OC)c2)cc1.
What is the InChIKey of 2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol?
The InChIKey is QLGBUPSVZVVYLH-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H20O4/c1-20-16-8-5-15(6-9-16)13-22-11-3-4-14-7-10-17(19)18(12-14)21-2/h3-10,12,19H,11,13H2,1-2H3/b4-3+.
What are the key properties of 2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol?
2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol has a molecular weight of 300.35 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol is sourced from PubChem (CID 140835234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).