4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate

C20H26O7 — CID 145123352

IUPAC4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOCC(COc1ccc(OC)cc1)OC(=O)C=C
InChIInChI=1S/C20H26O7/c1-4-19(21)25-13-7-6-12-24-14-18(27-20(22)5-2)15-26-17-10-8-16(23-3)9-11-17/h4-5,8-11,18H,1-2,6-7,12-15H2,3H3
InChIKeySQRZTCSXRXEJBF-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.70
Rot. Bonds14

About 4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate

4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate (PubChem CID 145123352) has the molecular formula C20H26O7 and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate.

Molecular Properties

Compound Name4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate
PubChem CID145123352
Molecular FormulaC20H26O7
Molecular Weight378.42 g/mol
Exact Mass378.17
IUPAC Name4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOCC(COc1ccc(OC)cc1)OC(=O)C=C
InChIInChI=1S/C20H26O7/c1-4-19(21)25-13-7-6-12-24-14-18(27-20(22)5-2)15-26-17-10-8-16(23-3)9-11-17/h4-5,8-11,18H,1-2,6-7,12-15H2,3H3
InChIKeySQRZTCSXRXEJBF-UHFFFAOYSA-N
XLogP2.70
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

1-O-(4-methoxyphenyl) 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate
CID 122417154
[4-(4-methoxyphenyl)phenyl] 4-[3-(4-formyloxybutoxy)-2-prop-2-enoyloxypropoxy]benzoate
CID 145312743
[1-(4-ethoxybutoxy)-3-phenoxypropan-2-yl] 4-prop-2-enoyloxybutanoate
CID 159786744
[2-methanimidoyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate
CID 145317820
[1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
CID 145121720
1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate
CID 58280736
[3-[4-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenyl]sulfanylphenyl]sulfanylphenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate
CID 59739137
(1-ethoxy-3-phenoxypropan-2-yl) 4-prop-2-enoyloxybutanoate
CID 159802316
4-[2,3-di(prop-2-enoyloxy)propoxy]benzoic acid
CID 122419882
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
[1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
CID 142355257
[2-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methyl]-4-[2-(4-methoxyphenyl)ethynyl]phenyl] 4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]benzoate
CID 142383987

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate?
The IUPAC name of 4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate (CID 145123352) is 4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate.
What is the SMILES notation for 4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate?
The canonical SMILES for 4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate is C=CC(=O)OCCCCOCC(COc1ccc(OC)cc1)OC(=O)C=C.
What is the InChIKey of 4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate?
The InChIKey is SQRZTCSXRXEJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O7/c1-4-19(21)25-13-7-6-12-24-14-18(27-20(22)5-2)15-26-17-10-8-16(23-3)9-11-17/h4-5,8-11,18H,1-2,6-7,12-15H2,3H3.
What are the key properties of 4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate?
4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate has a molecular weight of 378.42 g/mol, XLogP of 2.70, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate is sourced from PubChem (CID 145123352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).