1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone

C28H34O5 — CID 19261549

IUPAC1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)C(O)OC(O)C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C28H34O5/c29-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)27(31)33-28(32)26(30)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h11-20,27-28,31-32H,1-10H2
InChIKeyMVNJEGAZIUTPLB-UHFFFAOYSA-N
MW450.58 g/mol
LogP5.50
Rot. Bonds8

About 1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone

1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone (PubChem CID 19261549) has the molecular formula C28H34O5 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone
PubChem CID19261549
Molecular FormulaC28H34O5
Molecular Weight450.58 g/mol
Exact Mass450.24
IUPAC Name1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)C(O)OC(O)C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C28H34O5/c29-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)27(31)33-28(32)26(30)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h11-20,27-28,31-32H,1-10H2
InChIKeyMVNJEGAZIUTPLB-UHFFFAOYSA-N
XLogP5.50
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone 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

1-(4-cyclobutylphenyl)-2-methylbutan-1-one
CID 116505591
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
CID 11107786
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
1-(4-cyclobutylphenyl)-2-methoxybutan-1-one
CID 116707134
(4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone
CID 22282326
(4-cyclohexylphenyl)-(oxan-2-yl)methanone
CID 62212791
4-cyclobutyl-N-propan-2-ylbenzamide
CID 174282086
(4-cyclohexylphenyl)-pyridin-4-ylmethanone
CID 43160506

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone?
The IUPAC name of 1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone (CID 19261549) is 1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone is O=C(c1ccc(C2CCCCC2)cc1)C(O)OC(O)C(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone?
The InChIKey is MVNJEGAZIUTPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O5/c29-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)27(31)33-28(32)26(30)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h11-20,27-28,31-32H,1-10H2.
What are the key properties of 1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone?
1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone has a molecular weight of 450.58 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone is sourced from PubChem (CID 19261549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).