2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid

C19H21FO4 — CID 155588642

IUPAC2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid
SMILESCC(C)(CO)c1cc(F)c(CC(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C19H21FO4/c1-19(2,12-21)15-10-16(20)14(9-18(22)23)8-17(15)24-11-13-6-4-3-5-7-13/h3-8,10,21H,9,11-12H2,1-2H3,(H,22,23)
InChIKeyDNXFGIROFTZARD-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.30
Rot. Bonds7

About 2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid

2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid (PubChem CID 155588642) has the molecular formula C19H21FO4 and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid
PubChem CID155588642
Molecular FormulaC19H21FO4
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid
SMILESCC(C)(CO)c1cc(F)c(CC(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C19H21FO4/c1-19(2,12-21)15-10-16(20)14(9-18(22)23)8-17(15)24-11-13-6-4-3-5-7-13/h3-8,10,21H,9,11-12H2,1-2H3,(H,22,23)
InChIKeyDNXFGIROFTZARD-UHFFFAOYSA-N
XLogP3.30
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol
CID 59544164
(4,5-difluoro-2-phenylmethoxyphenyl)methanol
CID 130119023
2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid
CID 155588671
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146
2-(4-bromo-5-fluoro-2-phenylmethoxyphenyl)-2-methylpropanal
CID 155588522
2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid
CID 174526081
1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone
CID 24773453
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid (CID 155588642) is 2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid is CC(C)(CO)c1cc(F)c(CC(=O)O)cc1OCc1ccccc1.
What is the InChIKey of 2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid?
The InChIKey is DNXFGIROFTZARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO4/c1-19(2,12-21)15-10-16(20)14(9-18(22)23)8-17(15)24-11-13-6-4-3-5-7-13/h3-8,10,21H,9,11-12H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid?
2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid has a molecular weight of 332.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-5-phenylmethoxyphenyl]acetic acid is sourced from PubChem (CID 155588642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).