1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene

C17H20O3 — CID 141439544

IUPAC1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene
SMILESCOc1cccc(C=CC2C=CC=CC2(OC)OC)c1
InChIInChI=1S/C17H20O3/c1-18-16-9-6-7-14(13-16)10-11-15-8-4-5-12-17(15,19-2)20-3/h4-13,15H,1-3H3
InChIKeyPPHCIMFDEOPILE-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.44
Rot. Bonds5

About 1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene

1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene (PubChem CID 141439544) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene
PubChem CID141439544
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene
SMILESCOc1cccc(C=CC2C=CC=CC2(OC)OC)c1
InChIInChI=1S/C17H20O3/c1-18-16-9-6-7-14(13-16)10-11-15-8-4-5-12-17(15,19-2)20-3/h4-13,15H,1-3H3
InChIKeyPPHCIMFDEOPILE-UHFFFAOYSA-N
XLogP3.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol
CID 154028292
(3-methoxyphenyl)methylidene-dimethylazanium iodide
CID 13184830
3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 89046788
3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204
[(E)-2-(3-methoxyphenyl)ethenyl]-di(propan-2-yloxy)borane
CID 139252236
1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene
CID 101067794
(E)-6-(3-methoxyphenyl)hex-5-en-1-ol
CID 14739737
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane
CID 117062487

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene?
The IUPAC name of 1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene (CID 141439544) is 1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene.
What is the SMILES notation for 1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene?
The canonical SMILES for 1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene is COc1cccc(C=CC2C=CC=CC2(OC)OC)c1.
What is the InChIKey of 1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene?
The InChIKey is PPHCIMFDEOPILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-18-16-9-6-7-14(13-16)10-11-15-8-4-5-12-17(15,19-2)20-3/h4-13,15H,1-3H3.
What are the key properties of 1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene?
1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene has a molecular weight of 272.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene is sourced from PubChem (CID 141439544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).