2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid

C18H19FO4 — CID 166242317

IUPAC2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid
SMILESCOc1ccc(-c2ccc(C(C)(C)O)cc2F)c(CC(=O)O)c1
InChIInChI=1S/C18H19FO4/c1-18(2,22)12-4-6-15(16(19)10-12)14-7-5-13(23-3)8-11(14)9-17(20)21/h4-8,10,22H,9H2,1-3H3,(H,20,21)
InChIKeyUURKRBFREDTDBZ-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.36
Rot. Bonds5

About 2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid

2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid (PubChem CID 166242317) has the molecular formula C18H19FO4 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid
PubChem CID166242317
Molecular FormulaC18H19FO4
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid
SMILESCOc1ccc(-c2ccc(C(C)(C)O)cc2F)c(CC(=O)O)c1
InChIInChI=1S/C18H19FO4/c1-18(2,22)12-4-6-15(16(19)10-12)14-7-5-13(23-3)8-11(14)9-17(20)21/h4-8,10,22H,9H2,1-3H3,(H,20,21)
InChIKeyUURKRBFREDTDBZ-UHFFFAOYSA-N
XLogP3.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid
CID 166242302
2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid
CID 11528862
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
2-(2-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 172907025
3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
CID 172652041
2-[2-(2,4-difluorophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4667197
2-(5-fluoro-2-methoxy-9H-fluoren-9-yl)acetic acid
CID 82578945
2-(3-tert-butyl-5-methoxyphenyl)acetic acid
CID 21199158
2-[4-fluoro-3-(methoxymethyl)phenyl]propan-2-ol
CID 117287840
2-[3-(bromomethyl)-2-fluoro-5-methoxyphenyl]acetic acid
CID 130139281

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid?
The IUPAC name of 2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid (CID 166242317) is 2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid is COc1ccc(-c2ccc(C(C)(C)O)cc2F)c(CC(=O)O)c1.
What is the InChIKey of 2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid?
The InChIKey is UURKRBFREDTDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO4/c1-18(2,22)12-4-6-15(16(19)10-12)14-7-5-13(23-3)8-11(14)9-17(20)21/h4-8,10,22H,9H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid?
2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid has a molecular weight of 318.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-methoxyphenyl]acetic acid is sourced from PubChem (CID 166242317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).