bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone

C23H26O7 — CID 57156728

IUPACbis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(OC)c(OC3CCOC3)c2)cc1OC1CCOC1
InChIInChI=1S/C23H26O7/c1-25-19-5-3-15(11-21(19)29-17-7-9-27-13-17)23(24)16-4-6-20(26-2)22(12-16)30-18-8-10-28-14-18/h3-6,11-12,17-18H,7-10,13-14H2,1-2H3
InChIKeyQWQSZCQWXWWBHG-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.27
Rot. Bonds8

About bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone

bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone (PubChem CID 57156728) has the molecular formula C23H26O7 and a molecular weight of 414.45 g/mol. Its IUPAC name is bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone.

Molecular Properties

Compound Namebis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
PubChem CID57156728
Molecular FormulaC23H26O7
Molecular Weight414.45 g/mol
Exact Mass414.17
IUPAC Namebis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(OC)c(OC3CCOC3)c2)cc1OC1CCOC1
InChIInChI=1S/C23H26O7/c1-25-19-5-3-15(11-21(19)29-17-7-9-27-13-17)23(24)16-4-6-20(26-2)22(12-16)30-18-8-10-28-14-18/h3-6,11-12,17-18H,7-10,13-14H2,1-2H3
InChIKeyQWQSZCQWXWWBHG-UHFFFAOYSA-N
XLogP3.27
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-oxopropanal
CID 58883405
N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
CID 23204629
4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde
CID 54175149
N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
CID 23204726
3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide
CID 23204628
N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
CID 23204555
3-methoxy-4-(oxan-4-yloxy)benzoic acid
CID 63935592
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
CID 117449997
methyl 4-amino-3-(oxolan-3-yloxy)benzoate
CID 59360023
1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone
CID 63559449
3-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117490575

Frequently Asked Questions

What is the IUPAC name of bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone?
The IUPAC name of bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone (CID 57156728) is bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone.
What is the SMILES notation for bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone?
The canonical SMILES for bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone is COc1ccc(C(=O)c2ccc(OC)c(OC3CCOC3)c2)cc1OC1CCOC1.
What is the InChIKey of bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone?
The InChIKey is QWQSZCQWXWWBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O7/c1-25-19-5-3-15(11-21(19)29-17-7-9-27-13-17)23(24)16-4-6-20(26-2)22(12-16)30-18-8-10-28-14-18/h3-6,11-12,17-18H,7-10,13-14H2,1-2H3.
What are the key properties of bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone?
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone has a molecular weight of 414.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone is sourced from PubChem (CID 57156728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).