5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid

C11H10O3 — CID 83829420

IUPAC5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1=Cc2cccc(O)c2CC1
InChIInChI=1S/C11H10O3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-3,6,12H,4-5H2,(H,13,14)
InChIKeyZZXUHZOYRPIYDT-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.81
Rot. Bonds1

About 5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid

5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 83829420) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID83829420
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1=Cc2cccc(O)c2CC1
InChIInChI=1S/C11H10O3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-3,6,12H,4-5H2,(H,13,14)
InChIKeyZZXUHZOYRPIYDT-UHFFFAOYSA-N
XLogP1.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3,4-dihydronaphthalene-2-carboxylic acid
CID 83843818
5-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 83829067
5-methoxy-3,4-dihydronaphthalene-2-carboxylic acid
CID 70186189
2-(5-hydroxy-3,4-dihydronaphthalen-2-yl)-2-methylpropanoic acid
CID 105490841
4-[2-(5-hydroxy-3-oxo-4H-naphthalen-2-yl)-2-oxoethyl]benzoic acid
CID 158983024
8-fluoro-2H-chromene-3-carboxylic acid
CID 83396977
3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone
CID 102580684
7-methoxy-3,4-dihydronaphthalene-2-carboxylic acid
CID 67598336
(Z)-3-(3,4-dihydronaphthalen-2-yl)-2,3-diphenyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 21152102
2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid
CID 105469803
(5E)-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid
CID 141077666
7,8-dihydrobenzo[f][1,3]benzodioxole-6-carboxylic acid
CID 23045021

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid (CID 83829420) is 5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid is O=C(O)C1=Cc2cccc(O)c2CC1.
What is the InChIKey of 5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is ZZXUHZOYRPIYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-3,6,12H,4-5H2,(H,13,14).
What are the key properties of 5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid?
5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 83829420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).