2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene

C19H22O4 — CID 11174476

IUPAC2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene
SMILESCOc1ccc(COC/C=C/c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H22O4/c1-20-17-9-6-15(7-10-17)14-23-12-4-5-16-8-11-18(21-2)13-19(16)22-3/h4-11,13H,12,14H2,1-3H3/b5-4+
InChIKeyBXULGCGKSJPRFW-SNAWJCMRSA-N
MW314.38 g/mol
LogP3.94
Rot. Bonds8

About 2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene

2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene (PubChem CID 11174476) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene
PubChem CID11174476
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene
SMILESCOc1ccc(COC/C=C/c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H22O4/c1-20-17-9-6-15(7-10-17)14-23-12-4-5-16-8-11-18(21-2)13-19(16)22-3/h4-11,13H,12,14H2,1-3H3/b5-4+
InChIKeyBXULGCGKSJPRFW-SNAWJCMRSA-N
XLogP3.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene
CID 57408009
[(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate
CID 173173470
2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]phenol
CID 140835234
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene
CID 90326933
(E)-6-[(4-methoxyphenyl)methoxy]-3,3-dimethylhex-4-en-2-one
CID 58932908
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
(E)-2-amino-5-(2,4-dimethoxyphenyl)pent-4-enoic acid
CID 112518794
4-[2-(2,4-dimethoxyphenyl)ethenoxy]phenol
CID 131632823
(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine
CID 83350088

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene?
The IUPAC name of 2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene (CID 11174476) is 2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene is COc1ccc(COC/C=C/c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene?
The InChIKey is BXULGCGKSJPRFW-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H22O4/c1-20-17-9-6-15(7-10-17)14-23-12-4-5-16-8-11-18(21-2)13-19(16)22-3/h4-11,13H,12,14H2,1-3H3/b5-4+.
What are the key properties of 2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene?
2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene has a molecular weight of 314.38 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[(E)-3-[(4-methoxyphenyl)methoxy]prop-1-enyl]benzene is sourced from PubChem (CID 11174476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).