(2R,4R)-2-methyl-2,4-diphenylpentanoic acid

C18H20O2 — CID 139765294

IUPAC(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
SMILESC[C@H](C[C@@](C)(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(15-9-5-3-6-10-15)13-18(2,17(19)20)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,19,20)/t14-,18-/m1/s1
InChIKeyLXHAJKAEXOLTRN-RDTXWAMCSA-N
MW268.36 g/mol
LogP4.22
Rot. Bonds5

About (2R,4R)-2-methyl-2,4-diphenylpentanoic acid

(2R,4R)-2-methyl-2,4-diphenylpentanoic acid (PubChem CID 139765294) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R,4R)-2-methyl-2,4-diphenylpentanoic acid.

Molecular Properties

Compound Name(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
PubChem CID139765294
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
SMILESC[C@H](C[C@@](C)(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(15-9-5-3-6-10-15)13-18(2,17(19)20)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,19,20)/t14-,18-/m1/s1
InChIKeyLXHAJKAEXOLTRN-RDTXWAMCSA-N
XLogP4.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
3-bromo-2-methyl-2-phenylpropanoic acid
CID 131843257
(4R)-2,2-dimethyl-4-phenylpentan-1-ol
CID 135189920
3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid
CID 62270669
2,4-dimethyl-2-phenylpentanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 172770094
4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
CID 146082222
3-[3-(4-methoxyphenyl)butanoylamino]-2-methyl-2-phenylpropanoic acid
CID 120701155
(4-methyl-4-methylsulfonylpentan-2-yl)benzene
CID 134582598
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057
2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid
CID 43437622
2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid
CID 104591356
2-methyl-3-phenoxy-2-phenylpropanoic acid
CID 174875676

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-2,4-diphenylpentanoic acid?
The IUPAC name of (2R,4R)-2-methyl-2,4-diphenylpentanoic acid (CID 139765294) is (2R,4R)-2-methyl-2,4-diphenylpentanoic acid.
What is the SMILES notation for (2R,4R)-2-methyl-2,4-diphenylpentanoic acid?
The canonical SMILES for (2R,4R)-2-methyl-2,4-diphenylpentanoic acid is C[C@H](C[C@@](C)(C(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,4R)-2-methyl-2,4-diphenylpentanoic acid?
The InChIKey is LXHAJKAEXOLTRN-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H20O2/c1-14(15-9-5-3-6-10-15)13-18(2,17(19)20)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,19,20)/t14-,18-/m1/s1.
What are the key properties of (2R,4R)-2-methyl-2,4-diphenylpentanoic acid?
(2R,4R)-2-methyl-2,4-diphenylpentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-2,4-diphenylpentanoic acid is sourced from PubChem (CID 139765294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).