6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid

C22H27FO4 — CID 174590330

IUPAC6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid
SMILESCOc1ccc(CCC(C)CC(O)(CCc2ccccc2)C(=O)O)cc1F
InChIInChI=1S/C22H27FO4/c1-16(8-9-18-10-11-20(27-2)19(23)14-18)15-22(26,21(24)25)13-12-17-6-4-3-5-7-17/h3-7,10-11,14,16,26H,8-9,12-13,15H2,1-2H3,(H,24,25)
InChIKeyDHGUUDMJFUTHKZ-UHFFFAOYSA-N
MW374.45 g/mol
LogP4.24
Rot. Bonds10

About 6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid

6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid (PubChem CID 174590330) has the molecular formula C22H27FO4 and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid
PubChem CID174590330
Molecular FormulaC22H27FO4
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid
SMILESCOc1ccc(CCC(C)CC(O)(CCc2ccccc2)C(=O)O)cc1F
InChIInChI=1S/C22H27FO4/c1-16(8-9-18-10-11-20(27-2)19(23)14-18)15-22(26,21(24)25)13-12-17-6-4-3-5-7-17/h3-7,10-11,14,16,26H,8-9,12-13,15H2,1-2H3,(H,24,25)
InChIKeyDHGUUDMJFUTHKZ-UHFFFAOYSA-N
XLogP4.24
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid with MolForge

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Related Compounds

N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 21282395
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51315396
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667211
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667212
1-(3-fluoro-4-methoxyphenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446280
1-(3-fluoro-4-methoxyphenyl)pentan-3-one
CID 43175845
1-(3-fluoro-4-methoxyphenyl)-5-phenylpentan-2-amine
CID 105122085
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 120500446
(3-fluoro-4-methoxyphenyl)methyl N'-(2-phenylethyl)carbamimidothioate
CID 8775433

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid (CID 174590330) is 6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid is COc1ccc(CCC(C)CC(O)(CCc2ccccc2)C(=O)O)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid?
The InChIKey is DHGUUDMJFUTHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FO4/c1-16(8-9-18-10-11-20(27-2)19(23)14-18)15-22(26,21(24)25)13-12-17-6-4-3-5-7-17/h3-7,10-11,14,16,26H,8-9,12-13,15H2,1-2H3,(H,24,25).
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid?
6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid has a molecular weight of 374.45 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-2-hydroxy-4-methyl-2-(2-phenylethyl)hexanoic acid is sourced from PubChem (CID 174590330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).