(3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate

C24H24O6 — CID 9095553

IUPAC(3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate
SMILESCOc1cc(COC(=O)c2ccc(COc3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H24O6/c1-26-21-13-18(14-22(27-2)23(21)28-3)16-30-24(25)19-11-9-17(10-12-19)15-29-20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3
InChIKeyOPYRIDTYHCXWCO-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.65
Rot. Bonds9

About (3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate

(3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate (PubChem CID 9095553) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is (3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name(3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate
PubChem CID9095553
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name(3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate
SMILESCOc1cc(COC(=O)c2ccc(COc3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H24O6/c1-26-21-13-18(14-22(27-2)23(21)28-3)16-30-24(25)19-11-9-17(10-12-19)15-29-20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3
InChIKeyOPYRIDTYHCXWCO-UHFFFAOYSA-N
XLogP4.65
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4,5-trimethoxyphenyl)methyl naphthalene-2-carboxylate
CID 9244590
(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
CID 7221984
(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate
CID 9095626
tris[[3,5-bis[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methoxy]phenyl]methyl] benzene-1,3,5-tricarboxylate
CID 102253111
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
(3,4,5-trimethoxyphenyl)methyl 3-chlorobenzoate
CID 18150581
(4-bromophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126187152
(3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate
CID 18154749
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(phenoxymethyl)benzoate
CID 7239727
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
(3,4,5-trimethoxyphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate
CID 9095580
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate?
The IUPAC name of (3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate (CID 9095553) is (3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate.
What is the SMILES notation for (3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate?
The canonical SMILES for (3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate is COc1cc(COC(=O)c2ccc(COc3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of (3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate?
The InChIKey is OPYRIDTYHCXWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O6/c1-26-21-13-18(14-22(27-2)23(21)28-3)16-30-24(25)19-11-9-17(10-12-19)15-29-20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3.
What are the key properties of (3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate?
(3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate has a molecular weight of 408.45 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate is sourced from PubChem (CID 9095553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).