(4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate

C22H20O5 — CID 16644851

IUPAC(4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20O5/c1-24-19-9-6-10-20(25-2)21(19)22(23)27-18-13-11-17(12-14-18)26-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3
InChIKeyADNBSPXLKOJYSD-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.50
Rot. Bonds7

About (4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate

(4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate (PubChem CID 16644851) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate
PubChem CID16644851
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name(4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20O5/c1-24-19-9-6-10-20(25-2)21(19)22(23)27-18-13-11-17(12-14-18)26-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3
InChIKeyADNBSPXLKOJYSD-UHFFFAOYSA-N
XLogP4.50
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl 3-methoxy-2,5-dimethyl-6-phenylmethoxybenzoate
CID 88854777
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
[2-(3-methoxy-3-oxopropanoyl)phenyl] 2-methoxy-6-phenylmethoxybenzoate
CID 54507580
(4-acetylphenyl) 2,6-dimethoxybenzoate
CID 795776
(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 54452131
2-(2,6-dimethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 7612423
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
2-methoxy-N-(4-methoxyphenyl)-6-phenylmethoxybenzamide
CID 44762771
[3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone
CID 68911244

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate?
The IUPAC name of (4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate (CID 16644851) is (4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate.
What is the SMILES notation for (4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate?
The canonical SMILES for (4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)Oc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate?
The InChIKey is ADNBSPXLKOJYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O5/c1-24-19-9-6-10-20(25-2)21(19)22(23)27-18-13-11-17(12-14-18)26-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3.
What are the key properties of (4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate?
(4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate has a molecular weight of 364.40 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate is sourced from PubChem (CID 16644851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).