[4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate

C23H22O6 — CID 89477375

IUPAC[4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate
SMILESCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OC)cc3)cc2C)cc1
InChIInChI=1S/C23H22O6/c1-16-14-21(29-23(24)17-4-6-18(25-2)7-5-17)12-13-22(16)28-15-27-20-10-8-19(26-3)9-11-20/h4-14H,15H2,1-3H3
InChIKeyCIJOKXCZMDWINI-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.65
Rot. Bonds8

About [4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate

[4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate (PubChem CID 89477375) has the molecular formula C23H22O6 and a molecular weight of 394.42 g/mol. Its IUPAC name is [4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate
PubChem CID89477375
Molecular FormulaC23H22O6
Molecular Weight394.42 g/mol
Exact Mass394.14
IUPAC Name[4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate
SMILESCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OC)cc3)cc2C)cc1
InChIInChI=1S/C23H22O6/c1-16-14-21(29-23(24)17-4-6-18(25-2)7-5-17)12-13-22(16)28-15-27-20-10-8-19(26-3)9-11-20/h4-14H,15H2,1-3H3
InChIKeyCIJOKXCZMDWINI-UHFFFAOYSA-N
XLogP4.65
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-methyl-4-[[4-(oxiran-2-ylmethyl)phenoxy]methoxy]phenyl] 4-(oxiran-2-ylmethyl)benzoate
CID 59790544
(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836
[3-methyl-4-[4-(sulfanylmethoxy)benzoyl]oxyphenyl] 4-(sulfanylmethoxy)benzoate
CID 170539195
(4-methoxy-3-methylphenyl) 4-ethylbenzoate
CID 145123252
[4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate
CID 158374847
(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
CID 723808
[3-methyl-4-[4-(2-methylbutanoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylbutanoyloxymethoxy)benzoate
CID 174110547
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
[4-(2,4-dimethylphenoxy)carbonylphenyl] 4-methoxybenzoate;sulfane
CID 144914302
[4-[6-(4-methoxy-3-methylphenoxy)hexoxy]phenyl] 4-methylbenzoate
CID 144956520
(4-methoxy-3-methylphenyl) 4-formyloxybenzoate
CID 145128085
[3-methyl-4-[[4-(3-prop-2-enoyloxypropoxy)phenoxy]methoxy]phenyl] 4-(3-ethenylperoxypropoxy)benzoate
CID 59755195

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate?
The IUPAC name of [4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate (CID 89477375) is [4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate?
The canonical SMILES for [4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate is COc1ccc(OCOc2ccc(OC(=O)c3ccc(OC)cc3)cc2C)cc1.
What is the InChIKey of [4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate?
The InChIKey is CIJOKXCZMDWINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O6/c1-16-14-21(29-23(24)17-4-6-18(25-2)7-5-17)12-13-22(16)28-15-27-20-10-8-19(26-3)9-11-20/h4-14H,15H2,1-3H3.
What are the key properties of [4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate?
[4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate has a molecular weight of 394.42 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate is sourced from PubChem (CID 89477375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).