(4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate

C24H28O9 — CID 67777483

IUPAC(4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate
SMILESC=C(C)C(=O)OCCOC(=O)C(=O)OCc1ccc(OC)cc1.COc1ccc(CO)cc1
InChIInChI=1S/C16H18O7.C8H10O2/c1-11(2)14(17)21-8-9-22-15(18)16(19)23-10-12-4-6-13(20-3)7-5-12;1-10-8-4-2-7(6-9)3-5-8/h4-7H,1,8-10H2,2-3H3;2-5,9H,6H2,1H3
InChIKeyIYHQPQJMMPORRG-UHFFFAOYSA-N
MW460.48 g/mol
LogP2.59
Rot. Bonds9

About (4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate

(4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate (PubChem CID 67777483) has the molecular formula C24H28O9 and a molecular weight of 460.48 g/mol. Its IUPAC name is (4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate.

Molecular Properties

Compound Name(4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate
PubChem CID67777483
Molecular FormulaC24H28O9
Molecular Weight460.48 g/mol
Exact Mass460.17
IUPAC Name(4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate
SMILESC=C(C)C(=O)OCCOC(=O)C(=O)OCc1ccc(OC)cc1.COc1ccc(CO)cc1
InChIInChI=1S/C16H18O7.C8H10O2/c1-11(2)14(17)21-8-9-22-15(18)16(19)23-10-12-4-6-13(20-3)7-5-12;1-10-8-4-2-7(6-9)3-5-8/h4-7H,1,8-10H2,2-3H3;2-5,9H,6H2,1H3
InChIKeyIYHQPQJMMPORRG-UHFFFAOYSA-N
XLogP2.59
TPSA117.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
CID 118031006
[4-(2-hydroxyethyl)phenyl]methyl 2-methylprop-2-enoate
CID 139641232
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
(4-methoxyphenyl)methanol
CID 7738
(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
CID 59524611
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
CID 91028345
[3-[4-(hydroxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 134200555
[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 139921074
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
[4-(2-butoxyethoxy)phenyl]methyl 2-methylprop-2-enoate
CID 70189318
[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]sulfonylphenyl]methyl 2-methylprop-2-enoate
CID 156621377

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate?
The IUPAC name of (4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate (CID 67777483) is (4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate.
What is the SMILES notation for (4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate?
The canonical SMILES for (4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate is C=C(C)C(=O)OCCOC(=O)C(=O)OCc1ccc(OC)cc1.COc1ccc(CO)cc1.
What is the InChIKey of (4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate?
The InChIKey is IYHQPQJMMPORRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O7.C8H10O2/c1-11(2)14(17)21-8-9-22-15(18)16(19)23-10-12-4-6-13(20-3)7-5-12;1-10-8-4-2-7(6-9)3-5-8/h4-7H,1,8-10H2,2-3H3;2-5,9H,6H2,1H3.
What are the key properties of (4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate?
(4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate has a molecular weight of 460.48 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate is sourced from PubChem (CID 67777483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).