2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid

C14H20O4 — CID 62396819

IUPAC2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid
SMILESCCC(C(=O)O)C(O)(CC)c1ccc(OC)cc1
InChIInChI=1S/C14H20O4/c1-4-12(13(15)16)14(17,5-2)10-6-8-11(18-3)9-7-10/h6-9,12,17H,4-5H2,1-3H3,(H,15,16)
InChIKeyXDRZAULOWPOLCA-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.40
Rot. Bonds6

About 2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid

2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid (PubChem CID 62396819) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid
PubChem CID62396819
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid
SMILESCCC(C(=O)O)C(O)(CC)c1ccc(OC)cc1
InChIInChI=1S/C14H20O4/c1-4-12(13(15)16)14(17,5-2)10-6-8-11(18-3)9-7-10/h6-9,12,17H,4-5H2,1-3H3,(H,15,16)
InChIKeyXDRZAULOWPOLCA-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-ethyl-3-hydroxy-3-phenylpentanoate
CID 62394588
3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
CID 55139482
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
3-hydroxy-3-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 62396805
(2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol
CID 125488191
(3S,4S)-4-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)hexan-3-ol
CID 125488996
1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol
CID 70004134
2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid
CID 69226482
2-(4-methoxyphenyl)-2-(2-methylpropylamino)butanoic acid
CID 61002875
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
CID 137362247

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid?
The IUPAC name of 2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid (CID 62396819) is 2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid.
What is the SMILES notation for 2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid?
The canonical SMILES for 2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid is CCC(C(=O)O)C(O)(CC)c1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid?
The InChIKey is XDRZAULOWPOLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-12(13(15)16)14(17,5-2)10-6-8-11(18-3)9-7-10/h6-9,12,17H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid?
2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid is sourced from PubChem (CID 62396819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).