1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone

C28H32O5 — CID 59385644

IUPAC1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone
SMILESCOc1cccc(OCC(O)COc2ccc(C(C)(C)c3ccc(C)cc3)cc2)c1C(C)=O
InChIInChI=1S/C28H32O5/c1-19-9-11-21(12-10-19)28(3,4)22-13-15-24(16-14-22)32-17-23(30)18-33-26-8-6-7-25(31-5)27(26)20(2)29/h6-16,23,30H,17-18H2,1-5H3
InChIKeyDMKBTUSJQCNILY-UHFFFAOYSA-N
MW448.56 g/mol
LogP5.35
Rot. Bonds10

About 1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone

1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone (PubChem CID 59385644) has the molecular formula C28H32O5 and a molecular weight of 448.56 g/mol. Its IUPAC name is 1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone
PubChem CID59385644
Molecular FormulaC28H32O5
Molecular Weight448.56 g/mol
Exact Mass448.22
IUPAC Name1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone
SMILESCOc1cccc(OCC(O)COc2ccc(C(C)(C)c3ccc(C)cc3)cc2)c1C(C)=O
InChIInChI=1S/C28H32O5/c1-19-9-11-21(12-10-19)28(3,4)22-13-15-24(16-14-22)32-17-23(30)18-33-26-8-6-7-25(31-5)27(26)20(2)29/h6-16,23,30H,17-18H2,1-5H3
InChIKeyDMKBTUSJQCNILY-UHFFFAOYSA-N
XLogP5.35
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone 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

4-hydroxy-5-[4-[2-[4-(2-hydroxy-4-oxopentoxy)phenyl]propan-2-yl]phenoxy]pentan-2-one
CID 22981470
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
1,3-bis[4-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20661045
1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159253549
ethyl 2-[2-acetyl-3-[3-[2-acetyl-3-(2-ethoxy-2-oxoethoxy)phenoxy]-2-hydroxypropoxy]phenoxy]acetate
CID 3086909
[3-(4-tert-butylphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate
CID 157088737
4-[3-[4-[2-[4-[3-(4-formylphenoxy)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropoxy]benzaldehyde
CID 100967393
[1-ethoxy-2-[4-[2-[4-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]ethyl] hydrogen sulfate
CID 58129810
[2-hydroxy-3-[4-[2-[4-(2-hydroxy-3-phenoxycarbonyloxypropoxy)phenyl]propan-2-yl]phenoxy]propyl] phenyl carbonate
CID 139915038
1-(4-tert-butylphenoxy)-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;2-[(4-methylphenoxy)methyl]oxirane
CID 159135741
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
CID 71211206

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone (CID 59385644) is 1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone is COc1cccc(OCC(O)COc2ccc(C(C)(C)c3ccc(C)cc3)cc2)c1C(C)=O.
What is the InChIKey of 1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone?
The InChIKey is DMKBTUSJQCNILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O5/c1-19-9-11-21(12-10-19)28(3,4)22-13-15-24(16-14-22)32-17-23(30)18-33-26-8-6-7-25(31-5)27(26)20(2)29/h6-16,23,30H,17-18H2,1-5H3.
What are the key properties of 1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone?
1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone has a molecular weight of 448.56 g/mol, XLogP of 5.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]-6-methoxyphenyl]ethanone is sourced from PubChem (CID 59385644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).