(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

C11H12O3 — CID 86336246

IUPAC(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)[C@H]1CCCc2c(O)cccc21
InChIInChI=1S/C11H12O3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h2-3,6,9,12H,1,4-5H2,(H,13,14)/t9-/m0/s1
InChIKeyYUSUVRFZZWXNTO-VIFPVBQESA-N
MW192.21 g/mol
LogP1.90
Rot. Bonds1

About (1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 86336246) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
PubChem CID86336246
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)[C@H]1CCCc2c(O)cccc21
InChIInChI=1S/C11H12O3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h2-3,6,9,12H,1,4-5H2,(H,13,14)/t9-/m0/s1
InChIKeyYUSUVRFZZWXNTO-VIFPVBQESA-N
XLogP1.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 83685405
5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 167731553
5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 10561783
2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 105481647
(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 86332255
[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
CID 92978915
(1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 124622033
carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
CID 20637491
5-hydroxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 126777323
5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 57052297
4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
CID 62841259
5-(isocyanatomethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 112709876

Frequently Asked Questions

What is the IUPAC name of (1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of (1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (CID 86336246) is (1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for (1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for (1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is O=C(O)[C@H]1CCCc2c(O)cccc21.
What is the InChIKey of (1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is YUSUVRFZZWXNTO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12O3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h2-3,6,9,12H,1,4-5H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 86336246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).