[(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate

C30H26O5 — CID 12060217

IUPAC[(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate
SMILESCOc1ccc(CO[C@H](c2ccccc2)[C@H](OC(=O)C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H26O5/c1-33-26-19-17-22(18-20-26)21-34-28(24-13-7-3-8-14-24)29(25-15-9-4-10-16-25)35-30(32)27(31)23-11-5-2-6-12-23/h2-20,28-29H,21H2,1H3/t28-,29-/m1/s1
InChIKeyDOKXJACHPSFFAW-FQLXRVMXSA-N
MW466.53 g/mol
LogP6.12
Rot. Bonds10

About [(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate

[(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate (PubChem CID 12060217) has the molecular formula C30H26O5 and a molecular weight of 466.53 g/mol. Its IUPAC name is [(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate.

Molecular Properties

Compound Name[(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate
PubChem CID12060217
Molecular FormulaC30H26O5
Molecular Weight466.53 g/mol
Exact Mass466.18
IUPAC Name[(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate
SMILESCOc1ccc(CO[C@H](c2ccccc2)[C@H](OC(=O)C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H26O5/c1-33-26-19-17-22(18-20-26)21-34-28(24-13-7-3-8-14-24)29(25-15-9-4-10-16-25)35-30(32)27(31)23-11-5-2-6-12-23/h2-20,28-29H,21H2,1H3/t28-,29-/m1/s1
InChIKeyDOKXJACHPSFFAW-FQLXRVMXSA-N
XLogP6.12
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.53
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R)-2-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate
CID 12060220
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol
CID 154717250
(3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol
CID 134864557
propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
CID 141491206
3-benzhydryloxy-2-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropanoic acid
CID 12763322
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324
2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate
CID 135066132
(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one
CID 11255470
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene
CID 101271686
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate?
The IUPAC name of [(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate (CID 12060217) is [(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate.
What is the SMILES notation for [(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate?
The canonical SMILES for [(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate is COc1ccc(CO[C@H](c2ccccc2)[C@H](OC(=O)C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate?
The InChIKey is DOKXJACHPSFFAW-FQLXRVMXSA-N. The full InChI is InChI=1S/C30H26O5/c1-33-26-19-17-22(18-20-26)21-34-28(24-13-7-3-8-14-24)29(25-15-9-4-10-16-25)35-30(32)27(31)23-11-5-2-6-12-23/h2-20,28-29H,21H2,1H3/t28-,29-/m1/s1.
What are the key properties of [(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate?
[(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate has a molecular weight of 466.53 g/mol, XLogP of 6.12, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(4-methoxyphenyl)methoxy]-1,2-diphenylethyl] 2-oxo-2-phenylacetate is sourced from PubChem (CID 12060217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).