(4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene

C17H22O2 — CID 123282450

IUPAC(4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene
SMILESCC=CC(=CC)C(C=C(OC)c1ccccc1)OC
InChIInChI=1S/C17H22O2/c1-5-10-14(6-2)16(18-3)13-17(19-4)15-11-8-7-9-12-15/h5-13,16H,1-4H3
InChIKeyHNRYLAKSXOMXQI-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.21
Rot. Bonds6

About (4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene

(4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene (PubChem CID 123282450) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene.

Molecular Properties

Compound Name(4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene
PubChem CID123282450
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene
SMILESCC=CC(=CC)C(C=C(OC)c1ccccc1)OC
InChIInChI=1S/C17H22O2/c1-5-10-14(6-2)16(18-3)13-17(19-4)15-11-8-7-9-12-15/h5-13,16H,1-4H3
InChIKeyHNRYLAKSXOMXQI-UHFFFAOYSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-methoxybut-1-enylbenzene
CID 69305429
(Z)-4-methoxy-4-phenylbut-3-enenitrile
CID 13065937
[(Z)-3-methoxy-3-phenylprop-2-enyl]-trimethylsilane
CID 134979100
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (E)-but-2-enoate
CID 2507898
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
(Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine
CID 163923579
(1-methoxy-2-phenoxyethenyl)benzene
CID 164530223
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
[(Z)-1-methoxy-2-nitroethenyl]benzene
CID 134895060
2-[(Z)-2-methoxy-2-phenylethenyl]aniline
CID 70402722
1-[(1Z,3E,4Z)-2-ethyl-3-ethylidene-1-phenylhexa-1,4-dienyl]-4-propoxybenzene
CID 142007878
N-[(1R)-1-phenylethyl]but-2-enamide
CID 778457

Frequently Asked Questions

What is the IUPAC name of (4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene?
The IUPAC name of (4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene (CID 123282450) is (4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene.
What is the SMILES notation for (4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene?
The canonical SMILES for (4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene is CC=CC(=CC)C(C=C(OC)c1ccccc1)OC.
What is the InChIKey of (4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene?
The InChIKey is HNRYLAKSXOMXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-5-10-14(6-2)16(18-3)13-17(19-4)15-11-8-7-9-12-15/h5-13,16H,1-4H3.
What are the key properties of (4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene?
(4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene has a molecular weight of 258.36 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene is sourced from PubChem (CID 123282450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).