2,2,3,3-tetraphenylheptanoic acid

C31H30O2 — CID 151752478

IUPAC2,2,3,3-tetraphenylheptanoic acid
SMILESCCCCC(c1ccccc1)(c1ccccc1)C(C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30O2/c1-2-3-24-30(25-16-8-4-9-17-25,26-18-10-5-11-19-26)31(29(32)33,27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-23H,2-3,24H2,1H3,(H,32,33)
InChIKeyROVWNKPSWXFUGU-UHFFFAOYSA-N
MW434.58 g/mol
LogP7.23
Rot. Bonds9

About 2,2,3,3-tetraphenylheptanoic acid

2,2,3,3-tetraphenylheptanoic acid (PubChem CID 151752478) has the molecular formula C31H30O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2,2,3,3-tetraphenylheptanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetraphenylheptanoic acid
PubChem CID151752478
Molecular FormulaC31H30O2
Molecular Weight434.58 g/mol
Exact Mass434.22
IUPAC Name2,2,3,3-tetraphenylheptanoic acid
SMILESCCCCC(c1ccccc1)(c1ccccc1)C(C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30O2/c1-2-3-24-30(25-16-8-4-9-17-25,26-18-10-5-11-19-26)31(29(32)33,27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-23H,2-3,24H2,1H3,(H,32,33)
InChIKeyROVWNKPSWXFUGU-UHFFFAOYSA-N
XLogP7.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

calcium;hydride;2-methyl-2-phenylhexanoic acid
CID 175225013
2-methyl-2-phenyldecanoic acid
CID 154177551
2-methyl-2-phenylnonadecanoic acid
CID 140988291
(2-methyl-2-phenylhexanoyl) 2-methyl-2-phenylhexaneperoxoate
CID 141354518
3-butyl-3-phenylheptan-2-one
CID 11776692
sodium 2-methyl-2-phenyltetradecanoate
CID 175370916
2-butyl-2-phenylpentanedioic acid
CID 67892428
2-nonyl-2-phenylpropanedioic acid
CID 70554602
dilithium;2-butyl-2-phenylpropanedioate
CID 139411834
calcium;hydride;2-octyl-2-phenylpropanedioic acid
CID 174969095
2,2-diphenylhexanamide;hydrochloride
CID 142429226
calcium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174967829

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetraphenylheptanoic acid?
The IUPAC name of 2,2,3,3-tetraphenylheptanoic acid (CID 151752478) is 2,2,3,3-tetraphenylheptanoic acid.
What is the SMILES notation for 2,2,3,3-tetraphenylheptanoic acid?
The canonical SMILES for 2,2,3,3-tetraphenylheptanoic acid is CCCCC(c1ccccc1)(c1ccccc1)C(C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,3,3-tetraphenylheptanoic acid?
The InChIKey is ROVWNKPSWXFUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O2/c1-2-3-24-30(25-16-8-4-9-17-25,26-18-10-5-11-19-26)31(29(32)33,27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-23H,2-3,24H2,1H3,(H,32,33).
What are the key properties of 2,2,3,3-tetraphenylheptanoic acid?
2,2,3,3-tetraphenylheptanoic acid has a molecular weight of 434.58 g/mol, XLogP of 7.23, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetraphenylheptanoic acid is sourced from PubChem (CID 151752478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).