methoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate

C23H28O5 — CID 177152762

IUPACmethoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate
SMILESC=C(COC)c1c(C)c(C(=O)OCOC)c(C)c(C)c1OCc1ccccc1
InChIInChI=1S/C23H28O5/c1-15(12-25-5)20-18(4)21(23(24)28-14-26-6)16(2)17(3)22(20)27-13-19-10-8-7-9-11-19/h7-11H,1,12-14H2,2-6H3
InChIKeyILHZHUQTMWMNEZ-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.61
Rot. Bonds9

About methoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate

methoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate (PubChem CID 177152762) has the molecular formula C23H28O5 and a molecular weight of 384.47 g/mol. Its IUPAC name is methoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate
PubChem CID177152762
Molecular FormulaC23H28O5
Molecular Weight384.47 g/mol
Exact Mass384.19
IUPAC Namemethoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate
SMILESC=C(COC)c1c(C)c(C(=O)OCOC)c(C)c(C)c1OCc1ccccc1
InChIInChI=1S/C23H28O5/c1-15(12-25-5)20-18(4)21(23(24)28-14-26-6)16(2)17(3)22(20)27-13-19-10-8-7-9-11-19/h7-11H,1,12-14H2,2-6H3
InChIKeyILHZHUQTMWMNEZ-UHFFFAOYSA-N
XLogP4.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate?
The IUPAC name of methoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate (CID 177152762) is methoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate.
What is the SMILES notation for methoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate?
The canonical SMILES for methoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate is C=C(COC)c1c(C)c(C(=O)OCOC)c(C)c(C)c1OCc1ccccc1.
What is the InChIKey of methoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate?
The InChIKey is ILHZHUQTMWMNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O5/c1-15(12-25-5)20-18(4)21(23(24)28-14-26-6)16(2)17(3)22(20)27-13-19-10-8-7-9-11-19/h7-11H,1,12-14H2,2-6H3.
What are the key properties of methoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate?
methoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate has a molecular weight of 384.47 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 3-(3-methoxyprop-1-en-2-yl)-2,5,6-trimethyl-4-phenylmethoxybenzoate is sourced from PubChem (CID 177152762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).