[(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate

C17H14O3 — CID 71048250

IUPAC[(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate
SMILESO=C(O[C@@H]1C=Cc2ccccc2C1O)c1ccccc1
InChIInChI=1S/C17H14O3/c18-16-14-9-5-4-6-12(14)10-11-15(16)20-17(19)13-7-2-1-3-8-13/h1-11,15-16,18H/t15-,16?/m1/s1
InChIKeyHTGSBYSSVSBBBO-AAFJCEBUSA-N
MW266.30 g/mol
LogP2.97
Rot. Bonds2

About [(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate

[(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate (PubChem CID 71048250) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is [(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate.

Molecular Properties

Compound Name[(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate
PubChem CID71048250
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name[(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate
SMILESO=C(O[C@@H]1C=Cc2ccccc2C1O)c1ccccc1
InChIInChI=1S/C17H14O3/c18-16-14-9-5-4-6-12(14)10-11-15(16)20-17(19)13-7-2-1-3-8-13/h1-11,15-16,18H/t15-,16?/m1/s1
InChIKeyHTGSBYSSVSBBBO-AAFJCEBUSA-N
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol
CID 122223894
(4,5-dibenzoyloxycyclopent-2-en-1-yl) benzoate
CID 12660047
methyl 4-[(1S,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]benzoate
CID 177385810
(1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol
CID 101270860
(1R,2S)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 13056069
(1R,2R)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 11252162
[(1R,2S,3R,4S,5S,6R)-2-benzoyloxy-3,4,5,6-tetrahydroxycyclohexyl] benzoate
CID 11090365
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
(1R,2R)-2-amino-1,2-dihydronaphthalen-1-ol;hydrochloride
CID 71310849
[(1S,4R)-4-benzoyloxycyclohex-2-en-1-yl] benzoate
CID 10990891
[(1R,2S,3R,4S,5S,6S)-3,4-dibenzoyloxy-2,5,6-trihydroxycyclohexyl] benzoate
CID 10863923
[(1R,3S,4R,6S)-3-benzoyloxy-2,4,5,6-tetrahydroxycyclohexyl] benzoate
CID 10862027

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate?
The IUPAC name of [(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate (CID 71048250) is [(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate.
What is the SMILES notation for [(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate?
The canonical SMILES for [(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate is O=C(O[C@@H]1C=Cc2ccccc2C1O)c1ccccc1.
What is the InChIKey of [(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate?
The InChIKey is HTGSBYSSVSBBBO-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H14O3/c18-16-14-9-5-4-6-12(14)10-11-15(16)20-17(19)13-7-2-1-3-8-13/h1-11,15-16,18H/t15-,16?/m1/s1.
What are the key properties of [(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate?
[(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate has a molecular weight of 266.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate is sourced from PubChem (CID 71048250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).