3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid

C22H26O3 — CID 570824

IUPAC3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(O)(c2ccccc2)c2ccccc2)C1(C)C
InChIInChI=1S/C22H26O3/c1-20(2)18(14-15-21(20,3)19(23)24)22(25,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18,25H,14-15H2,1-3H3,(H,23,24)
InChIKeyFHDLXPBOMVEMKM-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.45
Rot. Bonds4

About 3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid

3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid (PubChem CID 570824) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
PubChem CID570824
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(O)(c2ccccc2)c2ccccc2)C1(C)C
InChIInChI=1S/C22H26O3/c1-20(2)18(14-15-21(20,3)19(23)24)22(25,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18,25H,14-15H2,1-3H3,(H,23,24)
InChIKeyFHDLXPBOMVEMKM-UHFFFAOYSA-N
XLogP4.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid (CID 570824) is 3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCC(C(O)(c2ccccc2)c2ccccc2)C1(C)C.
What is the InChIKey of 3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The InChIKey is FHDLXPBOMVEMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3/c1-20(2)18(14-15-21(20,3)19(23)24)22(25,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18,25H,14-15H2,1-3H3,(H,23,24).
What are the key properties of 3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid has a molecular weight of 338.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(diphenyl)methyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 570824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).