2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid

C17H17NO2 — CID 39226276

IUPAC2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C17H17NO2/c19-17(20)10-12-3-5-13(6-4-12)14-7-8-16-15(11-14)2-1-9-18-16/h3-8,11,18H,1-2,9-10H2,(H,19,20)
InChIKeyKLGAKABMYGDEEO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.34
Rot. Bonds3

About 2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid

2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid (PubChem CID 39226276) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid
PubChem CID39226276
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C17H17NO2/c19-17(20)10-12-3-5-13(6-4-12)14-7-8-16-15(11-14)2-1-9-18-16/h3-8,11,18H,1-2,9-10H2,(H,19,20)
InChIKeyKLGAKABMYGDEEO-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid
CID 82039136
2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid
CID 39226300
4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile
CID 23004946
1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol
CID 105457907
N,N-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)aniline
CID 39232365
6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
CID 55197505
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid
CID 82039142
3-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)oxetane-3-carboxylic acid
CID 116997970
6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
CID 23004948
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid (CID 39226276) is 2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid is O=C(O)Cc1ccc(-c2ccc3c(c2)CCCN3)cc1.
What is the InChIKey of 2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid?
The InChIKey is KLGAKABMYGDEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20)10-12-3-5-13(6-4-12)14-7-8-16-15(11-14)2-1-9-18-16/h3-8,11,18H,1-2,9-10H2,(H,19,20).
What are the key properties of 2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid?
2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid has a molecular weight of 267.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid is sourced from PubChem (CID 39226276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).