4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan

C20H26O4 — CID 90734557

IUPAC4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan
SMILESC=CC(=O)OCCCCOC.Cc1cccc(-c2cc(C)co2)c1
InChIInChI=1S/C12H12O.C8H14O3/c1-9-4-3-5-11(6-9)12-7-10(2)8-13-12;1-3-8(9)11-7-5-4-6-10-2/h3-8H,1-2H3;3H,1,4-7H2,2H3
InChIKeyABMWLYXARKIFAQ-UHFFFAOYSA-N
MW330.42 g/mol
LogP4.71
Rot. Bonds7

About 4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan

4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan (PubChem CID 90734557) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan.

Molecular Properties

Compound Name4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan
PubChem CID90734557
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan
SMILESC=CC(=O)OCCCCOC.Cc1cccc(-c2cc(C)co2)c1
InChIInChI=1S/C12H12O.C8H14O3/c1-9-4-3-5-11(6-9)12-7-10(2)8-13-12;1-3-8(9)11-7-5-4-6-10-2/h3-8H,1-2H3;3H,1,4-7H2,2H3
InChIKeyABMWLYXARKIFAQ-UHFFFAOYSA-N
XLogP4.71
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxybutyl prop-2-enoate;2-methyl-5-(3-methylphenyl)-1,3-oxazole
CID 91101641
4-methoxybutyl prop-2-enoate;5-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 91560484
4-methoxybutyl prop-2-enoate
CID 22321356
6-methoxyhexyl prop-2-enoate;3-methyl-5-(4-methylphenyl)-1,2-oxazole
CID 91122695
2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate
CID 70425725
4-prop-2-enoyloxybutyl 3,5-dimethylbenzoate
CID 137415625
bis(2-methoxyethyl prop-2-enoate);bis(1-methoxyhexane);2-(4-methylphenyl)-5-(4-prop-1-ynylphenyl)furan;2-(4-methylphenyl)-5-(4-prop-1-ynylphenyl)thiophene
CID 91495929
6-[3-(6-hydroxyhexyl)phenyl]hexyl prop-2-enoate
CID 89073143
2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate
CID 137371297
3-(3-fluoro-4-methylphenyl)-5-methyl-1,2,4-oxadiazole;6-methoxyhexyl prop-2-enoate
CID 91208233
butyl prop-2-enoate;1,2-xylene
CID 70409011
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232

Frequently Asked Questions

What is the IUPAC name of 4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan?
The IUPAC name of 4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan (CID 90734557) is 4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan.
What is the SMILES notation for 4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan?
The canonical SMILES for 4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan is C=CC(=O)OCCCCOC.Cc1cccc(-c2cc(C)co2)c1.
What is the InChIKey of 4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan?
The InChIKey is ABMWLYXARKIFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C8H14O3/c1-9-4-3-5-11(6-9)12-7-10(2)8-13-12;1-3-8(9)11-7-5-4-6-10-2/h3-8H,1-2H3;3H,1,4-7H2,2H3.
What are the key properties of 4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan?
4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan has a molecular weight of 330.42 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutyl prop-2-enoate;4-methyl-2-(3-methylphenyl)furan is sourced from PubChem (CID 90734557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).