benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate

C25H26O3 — CID 20570647

IUPACbenzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate
SMILESCC(C)(C)Oc1ccc(CC(=O)OC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26O3/c1-25(2,3)28-22-16-14-19(15-17-22)18-23(26)27-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,24H,18H2,1-3H3
InChIKeyCUFSGBJELATQKU-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.74
Rot. Bonds6

About benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate

benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate (PubChem CID 20570647) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate.

Molecular Properties

Compound Namebenzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate
PubChem CID20570647
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Namebenzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate
SMILESCC(C)(C)Oc1ccc(CC(=O)OC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26O3/c1-25(2,3)28-22-16-14-19(15-17-22)18-23(26)27-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,24H,18H2,1-3H3
InChIKeyCUFSGBJELATQKU-UHFFFAOYSA-N
XLogP5.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-benzhydryl 3-O-tert-butyl propanedioate
CID 71746700
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide
CID 17245093
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
CID 82550165
1-phenylethyl 2-[4-(2-methylbutan-2-yl)phenyl]acetate
CID 59776169
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
1-phenylpropyl 2-phenylacetate
CID 59360641
S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate
CID 174931571
propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
CID 16637947
2-(3-ethoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953456
(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate?
The IUPAC name of benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate (CID 20570647) is benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate.
What is the SMILES notation for benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate?
The canonical SMILES for benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate is CC(C)(C)Oc1ccc(CC(=O)OC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate?
The InChIKey is CUFSGBJELATQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-25(2,3)28-22-16-14-19(15-17-22)18-23(26)27-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,24H,18H2,1-3H3.
What are the key properties of benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate?
benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate has a molecular weight of 374.48 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate is sourced from PubChem (CID 20570647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).