2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid

C18H16FNO3 — CID 166061212

IUPAC2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid
SMILESCn1c(O)c(CC(=O)O)c2c(Cc3cccc(F)c3)cccc21
InChIInChI=1S/C18H16FNO3/c1-20-15-7-3-5-12(8-11-4-2-6-13(19)9-11)17(15)14(18(20)23)10-16(21)22/h2-7,9,23H,8,10H2,1H3,(H,21,22)
InChIKeyZYWIJCPDJPPWFJ-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.24
Rot. Bonds4

About 2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid

2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid (PubChem CID 166061212) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid
PubChem CID166061212
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid
SMILESCn1c(O)c(CC(=O)O)c2c(Cc3cccc(F)c3)cccc21
InChIInChI=1S/C18H16FNO3/c1-20-15-7-3-5-12(8-11-4-2-6-13(19)9-11)17(15)14(18(20)23)10-16(21)22/h2-7,9,23H,8,10H2,1H3,(H,21,22)
InChIKeyZYWIJCPDJPPWFJ-UHFFFAOYSA-N
XLogP3.24
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 563822
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(3E)-3-(2-oxo-1H-indol-3-ylidene)-1-prop-2-enylindol-2-one
CID 974921
1-(4-Fluorobenzyl)-5-methoxy-2-methylindole-3-acetic acid
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(9-Methyl-9H-carbazol-2-yl)-acetic acid
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2-ethyl-5-hydroxy-1-(phenylmethyl)-1H-indole-3-acetamide
CID 10542836
2-(4-Allyl-1-benzyl-2-ethyl-5-hydroxy-1H-indol-3-yl)-acetamide
CID 10760156
2-[1-[(4-Hydroxy-3-propan-2-ylphenyl)methyl]-2-methylindol-3-yl]acetic acid
CID 73054742
5-Hydroxy-2-methyl-1-(phenylmethyl)-1H-indole-3-acetamide
CID 10589888
2-[5-Fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid
CID 11382433

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid (CID 166061212) is 2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid is Cn1c(O)c(CC(=O)O)c2c(Cc3cccc(F)c3)cccc21.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid?
The InChIKey is ZYWIJCPDJPPWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-20-15-7-3-5-12(8-11-4-2-6-13(19)9-11)17(15)14(18(20)23)10-16(21)22/h2-7,9,23H,8,10H2,1H3,(H,21,22).
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid?
2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid has a molecular weight of 313.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methyl]-2-hydroxy-1-methylindol-3-yl]acetic acid is sourced from PubChem (CID 166061212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).