3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene

C17H24O3 — CID 23247260

IUPAC3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene
SMILESC=CCOCc1ccc(OC)c(OCC)c1C(C)C=C
InChIInChI=1S/C17H24O3/c1-6-11-19-12-14-9-10-15(18-5)17(20-8-3)16(14)13(4)7-2/h6-7,9-10,13H,1-2,8,11-12H2,3-5H3
InChIKeyMPXATJCAXNOPMO-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.09
Rot. Bonds9

About 3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene

3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene (PubChem CID 23247260) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene.

Molecular Properties

Compound Name3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene
PubChem CID23247260
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene
SMILESC=CCOCc1ccc(OC)c(OCC)c1C(C)C=C
InChIInChI=1S/C17H24O3/c1-6-11-19-12-14-9-10-15(18-5)17(20-8-3)16(14)13(4)7-2/h6-7,9-10,13H,1-2,8,11-12H2,3-5H3
InChIKeyMPXATJCAXNOPMO-UHFFFAOYSA-N
XLogP4.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene
CID 23247258
4-methoxy-3-(prop-2-enoxymethyl)aniline
CID 53363952
1-ethenyl-3-ethoxy-4-methoxy-2-propan-2-yloxybenzene
CID 21125479
N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 11393628
1-[(E)-but-2-enyl]-4-ethoxy-5-methoxy-2-(prop-2-enoxymethyl)benzene
CID 11425874
2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 117467060
1-ethenyl-2-ethoxy-3-methoxybenzene
CID 11629687
2-ethoxy-3-iodo-1,4-dimethoxybenzene
CID 118824660
2-chloro-4-[4-methoxy-3-(prop-2-enoxymethyl)phenyl]pyrimidine
CID 53363694
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene
CID 139659330
1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene
CID 141200812

Frequently Asked Questions

What is the IUPAC name of 3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene?
The IUPAC name of 3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene (CID 23247260) is 3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene.
What is the SMILES notation for 3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene?
The canonical SMILES for 3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene is C=CCOCc1ccc(OC)c(OCC)c1C(C)C=C.
What is the InChIKey of 3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene?
The InChIKey is MPXATJCAXNOPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-6-11-19-12-14-9-10-15(18-5)17(20-8-3)16(14)13(4)7-2/h6-7,9-10,13H,1-2,8,11-12H2,3-5H3.
What are the key properties of 3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene?
3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene has a molecular weight of 276.38 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene is sourced from PubChem (CID 23247260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).