1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone

C18H16O3 — CID 11277473

IUPAC1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(O[C@@H]2C=Cc3ccccc3[C@H]2O)cc1
InChIInChI=1S/C18H16O3/c1-12(19)13-6-9-15(10-7-13)21-17-11-8-14-4-2-3-5-16(14)18(17)20/h2-11,17-18,20H,1H3/t17-,18-/m1/s1
InChIKeyJKWQDYKHJFUXLV-QZTJIDSGSA-N
MW280.32 g/mol
LogP3.40
Rot. Bonds3

About 1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone

1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone (PubChem CID 11277473) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone
PubChem CID11277473
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(O[C@@H]2C=Cc3ccccc3[C@H]2O)cc1
InChIInChI=1S/C18H16O3/c1-12(19)13-6-9-15(10-7-13)21-17-11-8-14-4-2-3-5-16(14)18(17)20/h2-11,17-18,20H,1H3/t17-,18-/m1/s1
InChIKeyJKWQDYKHJFUXLV-QZTJIDSGSA-N
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.40
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
(1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol
CID 172810005
[(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate
CID 71048250
(1R,2R)-2-prop-2-enoxy-1,2-dihydronaphthalen-1-ol
CID 11195024
(1R,2S)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 13056069
(1R,2R)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 11252162
methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate
CID 71740035
potassium (4-acetylphenyl) sulfate
CID 23679874
1-[4-[(2R,3S,6S)-2-(hydroxymethyl)-3-(4-phenylphenoxy)-3,6-dihydro-2H-pyran-6-yl]phenyl]ethanone
CID 23872055
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
(1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol
CID 102041489
(1S,11S,12R,16S)-14-(4-acetylphenyl)-11-(4-methoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
CID 6356275

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone?
The IUPAC name of 1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone (CID 11277473) is 1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone is CC(=O)c1ccc(O[C@@H]2C=Cc3ccccc3[C@H]2O)cc1.
What is the InChIKey of 1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone?
The InChIKey is JKWQDYKHJFUXLV-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H16O3/c1-12(19)13-6-9-15(10-7-13)21-17-11-8-14-4-2-3-5-16(14)18(17)20/h2-11,17-18,20H,1H3/t17-,18-/m1/s1.
What are the key properties of 1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone?
1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone has a molecular weight of 280.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone is sourced from PubChem (CID 11277473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).