4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid

C21H24O4 — CID 54518524

IUPAC4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid
SMILESCC1(C)OC[C@@H](CCC(C(=O)O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C21H24O4/c1-20(2)24-15-18(25-20)13-14-21(19(22)23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyYOCJROFWSPBGHT-GOSISDBHSA-N
MW340.42 g/mol
LogP3.99
Rot. Bonds6

About 4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid

4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid (PubChem CID 54518524) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid.

Molecular Properties

Compound Name4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid
PubChem CID54518524
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid
SMILESCC1(C)OC[C@@H](CCC(C(=O)O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C21H24O4/c1-20(2)24-15-18(25-20)13-14-21(19(22)23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyYOCJROFWSPBGHT-GOSISDBHSA-N
XLogP3.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid?
The IUPAC name of 4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid (CID 54518524) is 4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid.
What is the SMILES notation for 4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid?
The canonical SMILES for 4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid is CC1(C)OC[C@@H](CCC(C(=O)O)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid?
The InChIKey is YOCJROFWSPBGHT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24O4/c1-20(2)24-15-18(25-20)13-14-21(19(22)23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,22,23)/t18-/m1/s1.
What are the key properties of 4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid?
4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid has a molecular weight of 340.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-diphenylbutanoic acid is sourced from PubChem (CID 54518524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).