2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid

C18H25FO4 — CID 22284930

IUPAC2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid
SMILESCC(C)(CC(O)(CC1CCCC1)C(=O)O)c1cc(F)ccc1O
InChIInChI=1S/C18H25FO4/c1-17(2,14-9-13(19)7-8-15(14)20)11-18(23,16(21)22)10-12-5-3-4-6-12/h7-9,12,20,23H,3-6,10-11H2,1-2H3,(H,21,22)
InChIKeyCVBVYCJBBLLHQT-UHFFFAOYSA-N
MW324.39 g/mol
LogP3.60
Rot. Bonds6

About 2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid

2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid (PubChem CID 22284930) has the molecular formula C18H25FO4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid
PubChem CID22284930
Molecular FormulaC18H25FO4
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid
SMILESCC(C)(CC(O)(CC1CCCC1)C(=O)O)c1cc(F)ccc1O
InChIInChI=1S/C18H25FO4/c1-17(2,14-9-13(19)7-8-15(14)20)11-18(23,16(21)22)10-12-5-3-4-6-12/h7-9,12,20,23H,3-6,10-11H2,1-2H3,(H,21,22)
InChIKeyCVBVYCJBBLLHQT-UHFFFAOYSA-N
XLogP3.60
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid?
The IUPAC name of 2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid (CID 22284930) is 2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid.
What is the SMILES notation for 2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid?
The canonical SMILES for 2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid is CC(C)(CC(O)(CC1CCCC1)C(=O)O)c1cc(F)ccc1O.
What is the InChIKey of 2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid?
The InChIKey is CVBVYCJBBLLHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO4/c1-17(2,14-9-13(19)7-8-15(14)20)11-18(23,16(21)22)10-12-5-3-4-6-12/h7-9,12,20,23H,3-6,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid?
2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid has a molecular weight of 324.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid is sourced from PubChem (CID 22284930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).