2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid

C15H21FO3 — CID 142297392

IUPAC2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid
SMILESCCCC(F)(c1ccc(CC(=O)O)cc1)C(C)(C)O
InChIInChI=1S/C15H21FO3/c1-4-9-15(16,14(2,3)19)12-7-5-11(6-8-12)10-13(17)18/h5-8,19H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyGQMOJZBUDPDRSG-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.05
Rot. Bonds6

About 2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid

2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid (PubChem CID 142297392) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid
PubChem CID142297392
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid
SMILESCCCC(F)(c1ccc(CC(=O)O)cc1)C(C)(C)O
InChIInChI=1S/C15H21FO3/c1-4-9-15(16,14(2,3)19)12-7-5-11(6-8-12)10-13(17)18/h5-8,19H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyGQMOJZBUDPDRSG-UHFFFAOYSA-N
XLogP3.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1,1-difluorobutyl)phenyl]acetic acid
CID 116992158
2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetic acid
CID 115046288
3-amino-3-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-one
CID 116557035
methyl 2-[4-(1,1-difluorobutyl)phenyl]acetate
CID 116992177
2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693365
6,6-dimethyl-7-[4-(trifluoromethyl)phenyl]heptanoic acid
CID 91192334
2-(4-icosylsulfanylphenyl)acetic acid
CID 139754603
2-[4-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid
CID 45398570
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
CID 20985349
2-[4-(3-hydroxy-3-methylbutoxy)phenyl]acetic acid
CID 79361796
2-[4-[(3-methylpentan-3-ylamino)methyl]phenyl]acetic acid
CID 106330128
2-[4-(2-oxoundecyl)phenyl]acetic acid
CID 157258088

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid (CID 142297392) is 2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid is CCCC(F)(c1ccc(CC(=O)O)cc1)C(C)(C)O.
What is the InChIKey of 2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid?
The InChIKey is GQMOJZBUDPDRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c1-4-9-15(16,14(2,3)19)12-7-5-11(6-8-12)10-13(17)18/h5-8,19H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid?
2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid has a molecular weight of 268.33 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-2-hydroxy-2-methylhexan-3-yl)phenyl]acetic acid is sourced from PubChem (CID 142297392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).