[2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone

C21H26O7 — CID 134972083

IUPAC[2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone
SMILESCOCCOCOCc1ccccc1C(=O)c1cc(OC)cc(OC)c1CO
InChIInChI=1S/C21H26O7/c1-24-8-9-27-14-28-13-15-6-4-5-7-17(15)21(23)18-10-16(25-2)11-20(26-3)19(18)12-22/h4-7,10-11,22H,8-9,12-14H2,1-3H3
InChIKeyGFLBNORBEJSNGA-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.56
Rot. Bonds12

About [2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone

[2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone (PubChem CID 134972083) has the molecular formula C21H26O7 and a molecular weight of 390.43 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone
PubChem CID134972083
Molecular FormulaC21H26O7
Molecular Weight390.43 g/mol
Exact Mass390.17
IUPAC Name[2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone
SMILESCOCCOCOCc1ccccc1C(=O)c1cc(OC)cc(OC)c1CO
InChIInChI=1S/C21H26O7/c1-24-8-9-27-14-28-13-15-6-4-5-7-17(15)21(23)18-10-16(25-2)11-20(26-3)19(18)12-22/h4-7,10-11,22H,8-9,12-14H2,1-3H3
InChIKeyGFLBNORBEJSNGA-UHFFFAOYSA-N
XLogP2.56
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxymethoxymethyl)phenol
CID 23251146
1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene
CID 102273411
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
CID 140659605
CID 140659605
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
methyl 2-[(3,5-dichlorophenoxy)methoxymethyl]benzoate
CID 71371053
N,2-bis(methoxymethyl)benzamide
CID 91153220
2-amino-6-(2-methoxyethoxymethoxymethyl)benzaldehyde
CID 87643019
3,5-dimethoxy-2-(phenoxymethoxy)benzoic acid
CID 70362441
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone?
The IUPAC name of [2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone (CID 134972083) is [2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone is COCCOCOCc1ccccc1C(=O)c1cc(OC)cc(OC)c1CO.
What is the InChIKey of [2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone?
The InChIKey is GFLBNORBEJSNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O7/c1-24-8-9-27-14-28-13-15-6-4-5-7-17(15)21(23)18-10-16(25-2)11-20(26-3)19(18)12-22/h4-7,10-11,22H,8-9,12-14H2,1-3H3.
What are the key properties of [2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone?
[2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone has a molecular weight of 390.43 g/mol, XLogP of 2.56, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3,5-dimethoxyphenyl]-[2-(2-methoxyethoxymethoxymethyl)phenyl]methanone is sourced from PubChem (CID 134972083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).