[3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone

C23H22O5 — CID 68911244

IUPAC[3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone
SMILESCOCOc1c(OC)cccc1C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H22O5/c1-25-16-28-23-20(9-6-10-21(23)26-2)22(24)18-11-13-19(14-12-18)27-15-17-7-4-3-5-8-17/h3-14H,15-16H2,1-2H3
InChIKeyUMFULULBYDSAJG-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.49
Rot. Bonds9

About [3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone

[3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone (PubChem CID 68911244) has the molecular formula C23H22O5 and a molecular weight of 378.42 g/mol. Its IUPAC name is [3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone
PubChem CID68911244
Molecular FormulaC23H22O5
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name[3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone
SMILESCOCOc1c(OC)cccc1C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H22O5/c1-25-16-28-23-20(9-6-10-21(23)26-2)22(24)18-11-13-19(14-12-18)27-15-17-7-4-3-5-8-17/h3-14H,15-16H2,1-2H3
InChIKeyUMFULULBYDSAJG-UHFFFAOYSA-N
XLogP4.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
(4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate
CID 16644851
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
2-(2,6-dimethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 7612423
[3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone
CID 19812692
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
N'-[4-(2-methoxyethoxy)benzoyl]-2-phenylmethoxybenzohydrazide
CID 17353669
4-phenylmethoxybenzoic acid
CID 68896574
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone?
The IUPAC name of [3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone (CID 68911244) is [3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone?
The canonical SMILES for [3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone is COCOc1c(OC)cccc1C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone?
The InChIKey is UMFULULBYDSAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O5/c1-25-16-28-23-20(9-6-10-21(23)26-2)22(24)18-11-13-19(14-12-18)27-15-17-7-4-3-5-8-17/h3-14H,15-16H2,1-2H3.
What are the key properties of [3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone?
[3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone has a molecular weight of 378.42 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 68911244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).