(2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid

C14H20O4 — CID 66960054

IUPAC(2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
SMILESCC[C@@](O)(CCCc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C14H20O4/c1-3-14(17,13(15)16)10-4-5-11-6-8-12(18-2)9-7-11/h6-9,17H,3-5,10H2,1-2H3,(H,15,16)/t14-/m1/s1
InChIKeyNZIGHPPDVVZXNA-CQSZACIVSA-N
MW252.31 g/mol
LogP2.24
Rot. Bonds7

About (2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid

(2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid (PubChem CID 66960054) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
PubChem CID66960054
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
SMILESCC[C@@](O)(CCCc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C14H20O4/c1-3-14(17,13(15)16)10-4-5-11-6-8-12(18-2)9-7-11/h6-9,17H,3-5,10H2,1-2H3,(H,15,16)/t14-/m1/s1
InChIKeyNZIGHPPDVVZXNA-CQSZACIVSA-N
XLogP2.24
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
CID 70212067
(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 67330624
2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid
CID 150251513
2-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-4-oxopentanoic acid;hydrate
CID 131886062
2-amino-2-(hydroxymethyl)-5-(4-methoxyphenyl)pentanoic acid
CID 58820292
7-(4-methoxyphenyl)-2,2-dimethylheptanoic acid
CID 139937428
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
5-(4-methoxyphenyl)pentanamide
CID 134389506
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
(2S)-2-amino-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 93380969
1-(4-methoxyphenyl)-4,4-dimethylhexan-3-one
CID 114974365
2-[2-(4-methoxyphenyl)ethyl]-2-(2-phenylethyl)propanedioic acid
CID 122530743

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid?
The IUPAC name of (2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid (CID 66960054) is (2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid.
What is the SMILES notation for (2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid?
The canonical SMILES for (2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid is CC[C@@](O)(CCCc1ccc(OC)cc1)C(=O)O.
What is the InChIKey of (2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid?
The InChIKey is NZIGHPPDVVZXNA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20O4/c1-3-14(17,13(15)16)10-4-5-11-6-8-12(18-2)9-7-11/h6-9,17H,3-5,10H2,1-2H3,(H,15,16)/t14-/m1/s1.
What are the key properties of (2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid?
(2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid is sourced from PubChem (CID 66960054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).