1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate

C45H44O3 — CID 91382042

IUPAC1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate
SMILESCC(=O)OCC1c2ccccc2-c2ccccc21.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CCc1ccc(OC)cc1
InChIInChI=1S/C20H18.C16H14O2.C9H12O/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-11(17)18-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;1-3-8-4-6-9(10-2)7-5-8/h2-16H,1H3;2-9,16H,10H2,1H3;4-7H,3H2,1-2H3
InChIKeyBRJDUSJHOPPLGO-UHFFFAOYSA-N
MW632.84 g/mol
LogP10.66
Rot. Bonds7

About 1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate

1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate (PubChem CID 91382042) has the molecular formula C45H44O3 and a molecular weight of 632.84 g/mol. Its IUPAC name is 1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate.

Molecular Properties

Compound Name1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate
PubChem CID91382042
Molecular FormulaC45H44O3
Molecular Weight632.84 g/mol
Exact Mass632.33
IUPAC Name1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate
SMILESCC(=O)OCC1c2ccccc2-c2ccccc21.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CCc1ccc(OC)cc1
InChIInChI=1S/C20H18.C16H14O2.C9H12O/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-11(17)18-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;1-3-8-4-6-9(10-2)7-5-8/h2-16H,1H3;2-9,16H,10H2,1H3;4-7H,3H2,1-2H3
InChIKeyBRJDUSJHOPPLGO-UHFFFAOYSA-N
XLogP10.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.84
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate
CID 173166332
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-methoxyphenyl)propanoic acid
CID 163335635
[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl] acetate
CID 97294827
9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate
CID 141038963
9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene
CID 91286921
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[(4-methoxyphenyl)-diphenylmethyl]amino]-3-sulfanylpropanoic acid
CID 57363323
(2-amino-7-methoxy-9H-fluoren-9-yl)methyl acetate
CID 90974538
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-(4-methoxyphenyl)propanoic acid
CID 7014947
3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(4-methoxyphenyl)methyl]benzoic acid
CID 11655926
9H-fluoren-9-ylmethyl 3-(4-methoxybenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171944193
benzyl acetate;benzyl formate;tert-butyl acetate;tert-butyl(dimethyl)silane;tert-butyl formate;2-tert-butylsilylethyl acetate;tert-butyl(trimethyl)silane;2,2-dimethylpropane;1,1-diphenylethylbenzene;ethane;ethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate;9H-fluoren-9-ylmethyl formate;methane;pent-1-ene;propane;propan-2-one;prop-2-enyl acetate;toluene
CID 158846636

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate?
The IUPAC name of 1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate (CID 91382042) is 1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate.
What is the SMILES notation for 1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate?
The canonical SMILES for 1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate is CC(=O)OCC1c2ccccc2-c2ccccc21.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CCc1ccc(OC)cc1.
What is the InChIKey of 1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate?
The InChIKey is BRJDUSJHOPPLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.C16H14O2.C9H12O/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-11(17)18-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;1-3-8-4-6-9(10-2)7-5-8/h2-16H,1H3;2-9,16H,10H2,1H3;4-7H,3H2,1-2H3.
What are the key properties of 1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate?
1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate has a molecular weight of 632.84 g/mol, XLogP of 10.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate is sourced from PubChem (CID 91382042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).