1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone

C26H28O3 — CID 24773453

IUPAC1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(C(C)(C)C)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C26H28O3/c1-19(27)22-15-23(26(2,3)4)25(29-18-21-13-9-6-10-14-21)16-24(22)28-17-20-11-7-5-8-12-20/h5-16H,17-18H2,1-4H3
InChIKeyIJYAWQDRWLYGOA-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.34
Rot. Bonds7

About 1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone

1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone (PubChem CID 24773453) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone
PubChem CID24773453
Molecular FormulaC26H28O3
Molecular Weight388.51 g/mol
Exact Mass388.20
IUPAC Name1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(C(C)(C)C)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C26H28O3/c1-19(27)22-15-23(26(2,3)4)25(29-18-21-13-9-6-10-14-21)16-24(22)28-17-20-11-7-5-8-12-20/h5-16H,17-18H2,1-4H3
InChIKeyIJYAWQDRWLYGOA-UHFFFAOYSA-N
XLogP6.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
4-bromo-1-tert-butyl-2-phenylmethoxybenzene
CID 90310776
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
5-acetyl-2-phenylmethoxy-4-(trifluoromethyl)benzonitrile
CID 91864212
2-tert-butyl-4-methylsulfanyl-1-phenylmethoxybenzene
CID 126677080
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037801
1-(2-decoxy-5-phenylmethoxyphenyl)ethanone
CID 86036913

Frequently Asked Questions

What is the IUPAC name of 1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone (CID 24773453) is 1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone is CC(=O)c1cc(C(C)(C)C)c(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone?
The InChIKey is IJYAWQDRWLYGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O3/c1-19(27)22-15-23(26(2,3)4)25(29-18-21-13-9-6-10-14-21)16-24(22)28-17-20-11-7-5-8-12-20/h5-16H,17-18H2,1-4H3.
What are the key properties of 1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone?
1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone has a molecular weight of 388.51 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone is sourced from PubChem (CID 24773453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).