3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid

C19H14FNO2 — CID 166154488

IUPAC3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(c1-c1cccc(F)c1)CCc1ccccc1-2
InChIInChI=1S/C19H14FNO2/c20-13-6-3-5-12(10-13)16-15-9-8-11-4-1-2-7-14(11)17(15)21-18(16)19(22)23/h1-7,10,21H,8-9H2,(H,22,23)
InChIKeyGDSZOEUYRRTVQY-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.28
Rot. Bonds2

About 3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid

3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid (PubChem CID 166154488) has the molecular formula C19H14FNO2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid
PubChem CID166154488
Molecular FormulaC19H14FNO2
Molecular Weight307.32 g/mol
Exact Mass307.10
IUPAC Name3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(c1-c1cccc(F)c1)CCc1ccccc1-2
InChIInChI=1S/C19H14FNO2/c20-13-6-3-5-12(10-13)16-15-9-8-11-4-1-2-7-14(11)17(15)21-18(16)19(22)23/h1-7,10,21H,8-9H2,(H,22,23)
InChIKeyGDSZOEUYRRTVQY-UHFFFAOYSA-N
XLogP4.28
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid (CID 166154488) is 3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid is O=C(O)c1[nH]c2c(c1-c1cccc(F)c1)CCc1ccccc1-2.
What is the InChIKey of 3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid?
The InChIKey is GDSZOEUYRRTVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2/c20-13-6-3-5-12(10-13)16-15-9-8-11-4-1-2-7-14(11)17(15)21-18(16)19(22)23/h1-7,10,21H,8-9H2,(H,22,23).
What are the key properties of 3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid?
3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid has a molecular weight of 307.32 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid is sourced from PubChem (CID 166154488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).