2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid

C14H20O4 — CID 83041581

IUPAC2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid
SMILESCCCC(Oc1ccc(C)cc1[C@@H](C)O)C(=O)O
InChIInChI=1S/C14H20O4/c1-4-5-13(14(16)17)18-12-7-6-9(2)8-11(12)10(3)15/h6-8,10,13,15H,4-5H2,1-3H3,(H,16,17)/t10-,13?/m1/s1
InChIKeyCVBKMIDUUYWPAK-VUUHIHSGSA-N
MW252.31 g/mol
LogP2.68
Rot. Bonds6

About 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid

2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid (PubChem CID 83041581) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid.

Molecular Properties

Compound Name2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid
PubChem CID83041581
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid
SMILESCCCC(Oc1ccc(C)cc1[C@@H](C)O)C(=O)O
InChIInChI=1S/C14H20O4/c1-4-5-13(14(16)17)18-12-7-6-9(2)8-11(12)10(3)15/h6-8,10,13,15H,4-5H2,1-3H3,(H,16,17)/t10-,13?/m1/s1
InChIKeyCVBKMIDUUYWPAK-VUUHIHSGSA-N
XLogP2.68
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid
CID 83041479
ethyl 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]pentanoate
CID 83042105
2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid
CID 83048867
ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate
CID 83041897
ethyl 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]pentanoate
CID 83040549
2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
CID 43505240
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide
CID 63366476
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]butanoic acid
CID 64661973
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid
CID 83041368
2-[2-propan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]pentanoic acid
CID 172692089
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine
CID 82550097

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid?
The IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid (CID 83041581) is 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid.
What is the SMILES notation for 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid?
The canonical SMILES for 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid is CCCC(Oc1ccc(C)cc1[C@@H](C)O)C(=O)O.
What is the InChIKey of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid?
The InChIKey is CVBKMIDUUYWPAK-VUUHIHSGSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-5-13(14(16)17)18-12-7-6-9(2)8-11(12)10(3)15/h6-8,10,13,15H,4-5H2,1-3H3,(H,16,17)/t10-,13?/m1/s1.
What are the key properties of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid?
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid is sourced from PubChem (CID 83041581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).