methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate

C24H26O3 — CID 157158688

IUPACmethane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
SMILESC.COc1ccc(C(C)(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C23H22O3.CH4/c1-17(24)26-22-15-11-20(12-16-22)23(2,18-7-5-4-6-8-18)19-9-13-21(25-3)14-10-19;/h4-16H,1-3H3;1H4
InChIKeyAMCQQZMHXNDYDC-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.61
Rot. Bonds5

About methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate

methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate (PubChem CID 157158688) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate.

Molecular Properties

Compound Namemethane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
PubChem CID157158688
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Namemethane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
SMILESC.COc1ccc(C(C)(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C23H22O3.CH4/c1-17(24)26-22-15-11-20(12-16-22)23(2,18-7-5-4-6-8-18)19-9-13-21(25-3)14-10-19;/h4-16H,1-3H3;1H4
InChIKeyAMCQQZMHXNDYDC-UHFFFAOYSA-N
XLogP5.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten
CID 20709048
[4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate
CID 59408587
[4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate
CID 161219499
ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 159845877
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate
CID 170110421
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
[4-[1-[4-(2,2-dimethylpropanoyloxy)phenyl]-1-(4-methoxyphenyl)ethyl]phenyl] 2,2-dimethylpropanoate
CID 142863748
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
[4-[2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] benzoate;phenyl acetate;propan-2-one
CID 159781668
[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 18728940
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
CID 4185935

Frequently Asked Questions

What is the IUPAC name of methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate?
The IUPAC name of methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate (CID 157158688) is methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate.
What is the SMILES notation for methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate?
The canonical SMILES for methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate is C.COc1ccc(C(C)(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate?
The InChIKey is AMCQQZMHXNDYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3.CH4/c1-17(24)26-22-15-11-20(12-16-22)23(2,18-7-5-4-6-8-18)19-9-13-21(25-3)14-10-19;/h4-16H,1-3H3;1H4.
What are the key properties of methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate?
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate has a molecular weight of 362.47 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate is sourced from PubChem (CID 157158688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).