1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene

C20H22O3 — CID 167053134

IUPAC1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene
SMILESC=Cc1ccc(OC)cc1-c1cc(OCOCC)ccc1C=C
InChIInChI=1S/C20H22O3/c1-5-15-8-10-17(21-4)12-19(15)20-13-18(23-14-22-7-3)11-9-16(20)6-2/h5-6,8-13H,1-2,7,14H2,3-4H3
InChIKeyUAXQJDVDCSSHBN-UHFFFAOYSA-N
MW310.39 g/mol
LogP5.02
Rot. Bonds8

About 1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene

1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene (PubChem CID 167053134) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene
PubChem CID167053134
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene
SMILESC=Cc1ccc(OC)cc1-c1cc(OCOCC)ccc1C=C
InChIInChI=1S/C20H22O3/c1-5-15-8-10-17(21-4)12-19(15)20-13-18(23-14-22-7-3)11-9-16(20)6-2/h5-6,8-13H,1-2,7,14H2,3-4H3
InChIKeyUAXQJDVDCSSHBN-UHFFFAOYSA-N
XLogP5.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
1,2-bis(ethenyl)-4-ethoxybenzene
CID 142802318
1-(butoxymethoxy)-3-methoxybenzene
CID 142960722
3-(2-ethenyl-5-methoxyphenyl)thiophene
CID 172650339
1-ethenyl-2-fluoro-4-methoxybenzene
CID 119031990
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-ethenyl-4-(ethoxymethoxy)benzene;1-ethenyl-4-methoxybenzene;1-ethenyl-4-(2-methoxyethoxy)benzene;1-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]benzene;1-ethenyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene;1-ethenyl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzene;1-ethenyl-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene;1-ethenyl-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene;1-ethenyl-4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 165040898
1-ethenyl-2-(3-iodopropyl)-4-methoxybenzene
CID 66808178
1-ethenyl-4-[(2-ethyl-3-methoxyphenoxy)methoxy]-2-methoxybenzene
CID 145229509
1-ethenyl-4-methoxy-2-propan-2-ylbenzene
CID 22712642
2-ethenyl-5-methoxy-N,N-dimethylaniline
CID 170076614
methyl 2-ethenyl-5-ethoxybenzoate
CID 45094065
2-chloro-1-ethenyl-4-[(4-methoxyphenyl)methoxy]benzene
CID 134457948

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene?
The IUPAC name of 1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene (CID 167053134) is 1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene.
What is the SMILES notation for 1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene?
The canonical SMILES for 1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene is C=Cc1ccc(OC)cc1-c1cc(OCOCC)ccc1C=C.
What is the InChIKey of 1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene?
The InChIKey is UAXQJDVDCSSHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-5-15-8-10-17(21-4)12-19(15)20-13-18(23-14-22-7-3)11-9-16(20)6-2/h5-6,8-13H,1-2,7,14H2,3-4H3.
What are the key properties of 1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene?
1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene has a molecular weight of 310.39 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[2-ethenyl-5-(ethoxymethoxy)phenyl]-4-methoxybenzene is sourced from PubChem (CID 167053134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).