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

C73H66O9 — CID 161219499

IUPAC[4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate
SMILESCOc1ccc(C(C)(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(C(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C28H24O3.C23H22O3.C22H20O3/c1-21(29)31-27-19-15-25(16-20-27)28(22-9-5-3-6-10-22,23-11-7-4-8-12-23)24-13-17-26(30-2)18-14-24;1-17(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;1-16(23)25-21-14-10-19(11-15-21)22(17-6-4-3-5-7-17)18-8-12-20(24-2)13-9-18/h3-20H,1-2H3;4-16H,1-3H3;3-15,22H,1-2H3
InChIKeyUXHXVSQCAAOJGQ-UHFFFAOYSA-N
MW1087.32 g/mol
LogP15.78
Rot. Bonds16

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

[4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate (PubChem CID 161219499) has the molecular formula C73H66O9 and a molecular weight of 1087.32 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate
PubChem CID161219499
Molecular FormulaC73H66O9
Molecular Weight1087.32 g/mol
Exact Mass1086.47
IUPAC Name[4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate
SMILESCOc1ccc(C(C)(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(C(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C28H24O3.C23H22O3.C22H20O3/c1-21(29)31-27-19-15-25(16-20-27)28(22-9-5-3-6-10-22,23-11-7-4-8-12-23)24-13-17-26(30-2)18-14-24;1-17(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;1-16(23)25-21-14-10-19(11-15-21)22(17-6-4-3-5-7-17)18-8-12-20(24-2)13-9-18/h3-20H,1-2H3;4-16H,1-3H3;3-15,22H,1-2H3
InChIKeyUXHXVSQCAAOJGQ-UHFFFAOYSA-N
XLogP15.78
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001087.32
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate with MolForge

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Related Compounds

methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten
CID 20709048
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
[4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate
CID 59408587
1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene
CID 123600060
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate
CID 170110421
ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 159845877
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

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate?
The IUPAC name of [4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate (CID 161219499) is [4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate.
What is the SMILES notation for [4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate?
The canonical SMILES for [4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate is COc1ccc(C(C)(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(C(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate?
The InChIKey is UXHXVSQCAAOJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O3.C23H22O3.C22H20O3/c1-21(29)31-27-19-15-25(16-20-27)28(22-9-5-3-6-10-22,23-11-7-4-8-12-23)24-13-17-26(30-2)18-14-24;1-17(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;1-16(23)25-21-14-10-19(11-15-21)22(17-6-4-3-5-7-17)18-8-12-20(24-2)13-9-18/h3-20H,1-2H3;4-16H,1-3H3;3-15,22H,1-2H3.
What are the key properties of [4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate?
[4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate has a molecular weight of 1087.32 g/mol, XLogP of 15.78, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate is sourced from PubChem (CID 161219499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).