(2S)-2,5-diphenylpentanoic acid

C17H18O2 — CID 7054365

IUPAC(2S)-2,5-diphenylpentanoic acid
SMILESO=C(O)[C@@H](CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c18-17(19)16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,16H,7,10,13H2,(H,18,19)/t16-/m0/s1
InChIKeyCGWQWPYMNKHMMO-INIZCTEOSA-N
MW254.33 g/mol
LogP3.88
Rot. Bonds6

About (2S)-2,5-diphenylpentanoic acid

(2S)-2,5-diphenylpentanoic acid (PubChem CID 7054365) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-2,5-diphenylpentanoic acid.

Molecular Properties

Compound Name(2S)-2,5-diphenylpentanoic acid
PubChem CID7054365
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(2S)-2,5-diphenylpentanoic acid
SMILESO=C(O)[C@@H](CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c18-17(19)16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,16H,7,10,13H2,(H,18,19)/t16-/m0/s1
InChIKeyCGWQWPYMNKHMMO-INIZCTEOSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-carboxy-4-phenylbutyl)benzoic acid
CID 82136611
5-(4-methoxyphenyl)-2-phenylpentanoic acid
CID 81008725
5-hydroxy-2-phenylpentanoic acid
CID 79006638
ethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide
CID 160944914
7-methyl-2-phenyloctanoic acid
CID 83162771
6-iodo-2-phenylhexanoic acid
CID 134916404
(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid
CID 94724465
2-phenyloctadecanedioic acid
CID 23016344
(2S)-2,3-diphenylpropanoic acid
CID 737125
2-phenyl-3-(4-phenylbutanoylamino)propanoic acid
CID 119254757
6-iodo-2-phenylheptanoic acid
CID 134916337
2-phenylhept-6-ynoic acid
CID 81008410

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diphenylpentanoic acid?
The IUPAC name of (2S)-2,5-diphenylpentanoic acid (CID 7054365) is (2S)-2,5-diphenylpentanoic acid.
What is the SMILES notation for (2S)-2,5-diphenylpentanoic acid?
The canonical SMILES for (2S)-2,5-diphenylpentanoic acid is O=C(O)[C@@H](CCCc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2,5-diphenylpentanoic acid?
The InChIKey is CGWQWPYMNKHMMO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18O2/c18-17(19)16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,16H,7,10,13H2,(H,18,19)/t16-/m0/s1.
What are the key properties of (2S)-2,5-diphenylpentanoic acid?
(2S)-2,5-diphenylpentanoic acid has a molecular weight of 254.33 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diphenylpentanoic acid is sourced from PubChem (CID 7054365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).