4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene

C21H24O — CID 173497547

IUPAC4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene
SMILESCC=C(/C=C(/C)c1ccc(OC)cc1C)c1cccc(C)c1
InChIInChI=1S/C21H24O/c1-6-18(19-9-7-8-15(2)12-19)13-16(3)21-11-10-20(22-5)14-17(21)4/h6-14H,1-5H3/b16-13-,18-6?
InChIKeyHUYFHQFNVKCLFT-QNBTVRQASA-N
MW292.42 g/mol
LogP5.82
Rot. Bonds4

About 4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene

4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene (PubChem CID 173497547) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene
PubChem CID173497547
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene
SMILESCC=C(/C=C(/C)c1ccc(OC)cc1C)c1cccc(C)c1
InChIInChI=1S/C21H24O/c1-6-18(19-9-7-8-15(2)12-19)13-16(3)21-11-10-20(22-5)14-17(21)4/h6-14H,1-5H3/b16-13-,18-6?
InChIKeyHUYFHQFNVKCLFT-QNBTVRQASA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine
CID 79591542
(Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one
CID 70984865
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
2,4-dimethoxy-1-[2-(4-methylphenyl)prop-1-enyl]benzene
CID 59073216
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
1-[(2E)-hexa-2,4,5-trien-3-yl]-3-methylbenzene
CID 143802893
1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene
CID 162409717
[4-bromo-2-(2,5-dimethoxyphenyl)phenyl]-(3-methylphenyl)methanone
CID 100985241
bis(carbamothioic S-acid);3-hydroxy-1-(4-methoxyphenyl)-3-(3-methylphenyl)prop-2-en-1-one;methane
CID 173052865
2-[(Z)-but-2-en-2-yl]-1,4-dimethoxybenzene
CID 10035483

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene?
The IUPAC name of 4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene (CID 173497547) is 4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene.
What is the SMILES notation for 4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene?
The canonical SMILES for 4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene is CC=C(/C=C(/C)c1ccc(OC)cc1C)c1cccc(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene?
The InChIKey is HUYFHQFNVKCLFT-QNBTVRQASA-N. The full InChI is InChI=1S/C21H24O/c1-6-18(19-9-7-8-15(2)12-19)13-16(3)21-11-10-20(22-5)14-17(21)4/h6-14H,1-5H3/b16-13-,18-6?.
What are the key properties of 4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene?
4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene has a molecular weight of 292.42 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene is sourced from PubChem (CID 173497547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).