(4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid

C24H30O4 — CID 70070826

IUPAC(4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid
SMILESCCCc1ccc(CC[C@H](CC(Cc2cccc(C)c2)C(=O)O)C(=O)O)cc1
InChIInChI=1S/C24H30O4/c1-3-5-18-8-10-19(11-9-18)12-13-21(23(25)26)16-22(24(27)28)15-20-7-4-6-17(2)14-20/h4,6-11,14,21-22H,3,5,12-13,15-16H2,1-2H3,(H,25,26)(H,27,28)/t21-,22?/m1/s1
InChIKeyAYCRNSGJVHQBHJ-ZMFCMNQTSA-N
MW382.50 g/mol
LogP4.91
Rot. Bonds11

About (4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid

(4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid (PubChem CID 70070826) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is (4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid.

Molecular Properties

Compound Name(4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid
PubChem CID70070826
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name(4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid
SMILESCCCc1ccc(CC[C@H](CC(Cc2cccc(C)c2)C(=O)O)C(=O)O)cc1
InChIInChI=1S/C24H30O4/c1-3-5-18-8-10-19(11-9-18)12-13-21(23(25)26)16-22(24(27)28)15-20-7-4-6-17(2)14-20/h4,6-11,14,21-22H,3,5,12-13,15-16H2,1-2H3,(H,25,26)(H,27,28)/t21-,22?/m1/s1
InChIKeyAYCRNSGJVHQBHJ-ZMFCMNQTSA-N
XLogP4.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenyl)methyl]pentanedioic acid
CID 112511845
2-(dimethylamino)-3-(3-methylphenyl)propanoic acid
CID 59981449
5-ethoxy-2-[(3-methylphenyl)methyl]pentanoic acid
CID 65180769
5-ethoxy-5-oxo-4-phenyl-2-(2-phenylethyl)pentanoic acid
CID 158421860
2-[(3-methylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590729
2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid
CID 102877599
(2S)-2-[2-(4-propylphenyl)ethyl]pentanedioic acid
CID 70074227
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
1-[1-bromo-2-(3-methylphenyl)ethyl]-4-propylbenzene
CID 63440555
2-ethoxy-3-(3-methylphenyl)propanoic acid
CID 84722685
2-[(3-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418956
2-[(3-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)propanoic acid
CID 79698980

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid?
The IUPAC name of (4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid (CID 70070826) is (4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid.
What is the SMILES notation for (4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid?
The canonical SMILES for (4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid is CCCc1ccc(CC[C@H](CC(Cc2cccc(C)c2)C(=O)O)C(=O)O)cc1.
What is the InChIKey of (4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid?
The InChIKey is AYCRNSGJVHQBHJ-ZMFCMNQTSA-N. The full InChI is InChI=1S/C24H30O4/c1-3-5-18-8-10-19(11-9-18)12-13-21(23(25)26)16-22(24(27)28)15-20-7-4-6-17(2)14-20/h4,6-11,14,21-22H,3,5,12-13,15-16H2,1-2H3,(H,25,26)(H,27,28)/t21-,22?/m1/s1.
What are the key properties of (4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid?
(4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid has a molecular weight of 382.50 g/mol, XLogP of 4.91, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(3-methylphenyl)methyl]-4-[2-(4-propylphenyl)ethyl]pentanedioic acid is sourced from PubChem (CID 70070826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).