(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate

C24H22O6 — CID 2379646

IUPAC(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
SMILESCOC(=O)c1ccc(COC(=O)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C24H22O6/c1-27-23(25)19-13-11-18(12-14-19)17-30-24(26)21-9-5-6-10-22(21)29-16-15-28-20-7-3-2-4-8-20/h2-14H,15-17H2,1H3
InChIKeyZRHAVDXSWRHYMU-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.29
Rot. Bonds9

About (4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate

(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate (PubChem CID 2379646) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
PubChem CID2379646
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
SMILESCOC(=O)c1ccc(COC(=O)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C24H22O6/c1-27-23(25)19-13-11-18(12-14-19)17-30-24(26)21-9-5-6-10-22(21)29-16-15-28-20-7-3-2-4-8-20/h2-14H,15-17H2,1H3
InChIKeyZRHAVDXSWRHYMU-UHFFFAOYSA-N
XLogP4.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate
CID 47056930
(4-cyanophenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4562658
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381
[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
2-phenoxyethyl 2-benzoyloxybenzoate
CID 17138536
methyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 9172369
(4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731714
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate
CID 17138630

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate (CID 2379646) is (4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate is COC(=O)c1ccc(COC(=O)c2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate?
The InChIKey is ZRHAVDXSWRHYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6/c1-27-23(25)19-13-11-18(12-14-19)17-30-24(26)21-9-5-6-10-22(21)29-16-15-28-20-7-3-2-4-8-20/h2-14H,15-17H2,1H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate?
(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate has a molecular weight of 406.43 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate is sourced from PubChem (CID 2379646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).