4-methyl-2,5-diphenylpentanoic acid

C18H20O2 — CID 82160563

IUPAC4-methyl-2,5-diphenylpentanoic acid
SMILESCC(Cc1ccccc1)CC(C(=O)O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(12-15-8-4-2-5-9-15)13-17(18(19)20)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,19,20)
InChIKeyGZDVNEBSXOPBNK-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.12
Rot. Bonds6

About 4-methyl-2,5-diphenylpentanoic acid

4-methyl-2,5-diphenylpentanoic acid (PubChem CID 82160563) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-2,5-diphenylpentanoic acid.

Molecular Properties

Compound Name4-methyl-2,5-diphenylpentanoic acid
PubChem CID82160563
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-methyl-2,5-diphenylpentanoic acid
SMILESCC(Cc1ccccc1)CC(C(=O)O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(12-15-8-4-2-5-9-15)13-17(18(19)20)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,19,20)
InChIKeyGZDVNEBSXOPBNK-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2,3-diphenylpropanoic acid
CID 737125
ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide
CID 160554887
4-methyl-2-phenylheptanoic acid
CID 65430207
4-iodo-2-phenylpentanoic acid
CID 134988411
6-methoxy-4-methyl-2-phenylhexanoic acid
CID 116500424
3-[hydroxy(1-phenylpropan-2-yl)phosphoryl]-2-phenylpropanoic acid
CID 140995266
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
4-ethyl-2-phenylhexanoic acid
CID 81009184
2-ethoxycarbonyl-4-methyl-5-phenylpentanoic acid
CID 174946151
(3S)-3-(aminomethyl)-5-methyl-6-phenylhexanoic acid
CID 70083704
(2R)-4,4-difluoro-2-phenylbutanoic acid
CID 95757342

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,5-diphenylpentanoic acid?
The IUPAC name of 4-methyl-2,5-diphenylpentanoic acid (CID 82160563) is 4-methyl-2,5-diphenylpentanoic acid.
What is the SMILES notation for 4-methyl-2,5-diphenylpentanoic acid?
The canonical SMILES for 4-methyl-2,5-diphenylpentanoic acid is CC(Cc1ccccc1)CC(C(=O)O)c1ccccc1.
What is the InChIKey of 4-methyl-2,5-diphenylpentanoic acid?
The InChIKey is GZDVNEBSXOPBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-14(12-15-8-4-2-5-9-15)13-17(18(19)20)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,19,20).
What are the key properties of 4-methyl-2,5-diphenylpentanoic acid?
4-methyl-2,5-diphenylpentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,5-diphenylpentanoic acid is sourced from PubChem (CID 82160563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).