2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid

C17H17NO3 — CID 84750442

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid
SMILESO=C(O)C(c1ccc(O)cc1)N1CCCc2ccccc21
InChIInChI=1S/C17H17NO3/c19-14-9-7-13(8-10-14)16(17(20)21)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10,16,19H,3,5,11H2,(H,20,21)
InChIKeyREERGKOQDORLKS-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.97
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid

2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid (PubChem CID 84750442) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid
PubChem CID84750442
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid
SMILESO=C(O)C(c1ccc(O)cc1)N1CCCc2ccccc21
InChIInChI=1S/C17H17NO3/c19-14-9-7-13(8-10-14)16(17(20)21)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10,16,19H,3,5,11H2,(H,20,21)
InChIKeyREERGKOQDORLKS-UHFFFAOYSA-N
XLogP2.97
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol
CID 82966412
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
2-(2,3-dihydroindol-1-yl)-1,2-diphenylethanone
CID 139234692
2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanol
CID 155093221
(2S)-2-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)acetamide
CID 51641515
2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid
CID 12698989
benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate
CID 139697216
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800848
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbutanoyl chloride
CID 82041996

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid (CID 84750442) is 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid is O=C(O)C(c1ccc(O)cc1)N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is REERGKOQDORLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-14-9-7-13(8-10-14)16(17(20)21)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10,16,19H,3,5,11H2,(H,20,21).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid?
2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 283.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 84750442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).