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

C20H16FNO3 — CID 166154545

IUPAC3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)[nH]c3c2CCc2ccccc2-3)cc1F
InChIInChI=1S/C20H16FNO3/c1-25-16-9-7-12(10-15(16)21)17-14-8-6-11-4-2-3-5-13(11)18(14)22-19(17)20(23)24/h2-5,7,9-10,22H,6,8H2,1H3,(H,23,24)
InChIKeyYSJXKISGUFFMMQ-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.29
Rot. Bonds3

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

3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid (PubChem CID 166154545) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid
PubChem CID166154545
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)[nH]c3c2CCc2ccccc2-3)cc1F
InChIInChI=1S/C20H16FNO3/c1-25-16-9-7-12(10-15(16)21)17-14-8-6-11-4-2-3-5-13(11)18(14)22-19(17)20(23)24/h2-5,7,9-10,22H,6,8H2,1H3,(H,23,24)
InChIKeyYSJXKISGUFFMMQ-UHFFFAOYSA-N
XLogP4.29
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid
CID 166154507
methyl 3-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166154523
methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166154515
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796325
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
3-chloro-4-(3-fluoro-4-methoxyphenyl)benzoic acid
CID 81308426
5-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82087076
tert-butyl 3-methyl-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166661292
4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 116698337
methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate
CID 154810461

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid (CID 166154545) is 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid is COc1ccc(-c2c(C(=O)O)[nH]c3c2CCc2ccccc2-3)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid?
The InChIKey is YSJXKISGUFFMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c1-25-16-9-7-12(10-15(16)21)17-14-8-6-11-4-2-3-5-13(11)18(14)22-19(17)20(23)24/h2-5,7,9-10,22H,6,8H2,1H3,(H,23,24).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid?
3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid has a molecular weight of 337.35 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid is sourced from PubChem (CID 166154545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).