4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde

C19H20O4 — CID 139087650

IUPAC4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde
SMILESCOc1ccc(/C=C/c2c(C)c(OC)cc(OC)c2C=O)cc1
InChIInChI=1S/C19H20O4/c1-13-16(10-7-14-5-8-15(21-2)9-6-14)17(12-20)19(23-4)11-18(13)22-3/h5-12H,1-4H3/b10-7+
InChIKeyMNOUNRZFXIYDAY-JXMROGBWSA-N
MW312.37 g/mol
LogP4.00
Rot. Bonds6

About 4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde

4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde (PubChem CID 139087650) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde.

Molecular Properties

Compound Name4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde
PubChem CID139087650
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde
SMILESCOc1ccc(/C=C/c2c(C)c(OC)cc(OC)c2C=O)cc1
InChIInChI=1S/C19H20O4/c1-13-16(10-7-14-5-8-15(21-2)9-6-14)17(12-20)19(23-4)11-18(13)22-3/h5-12H,1-4H3/b10-7+
InChIKeyMNOUNRZFXIYDAY-JXMROGBWSA-N
XLogP4.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylphenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 142742290
2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 59502123
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 69464209
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
1,3,5-trimethoxy-2-(2-phenylethenyl)benzene
CID 3809571
1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 125465485
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde?
The IUPAC name of 4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde (CID 139087650) is 4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde.
What is the SMILES notation for 4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde?
The canonical SMILES for 4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde is COc1ccc(/C=C/c2c(C)c(OC)cc(OC)c2C=O)cc1.
What is the InChIKey of 4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde?
The InChIKey is MNOUNRZFXIYDAY-JXMROGBWSA-N. The full InChI is InChI=1S/C19H20O4/c1-13-16(10-7-14-5-8-15(21-2)9-6-14)17(12-20)19(23-4)11-18(13)22-3/h5-12H,1-4H3/b10-7+.
What are the key properties of 4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde?
4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde has a molecular weight of 312.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde is sourced from PubChem (CID 139087650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).