(1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol

C22H18O2 — CID 122223894

IUPAC(1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol
SMILESO[C@H]1c2ccccc2C=C[C@H]1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18O2/c23-22-20-9-5-4-8-18(20)12-15-21(22)24-19-13-10-17(11-14-19)16-6-2-1-3-7-16/h1-15,21-23H/t21-,22+/m1/s1
InChIKeyDHUMTEJZJMIXFZ-YADHBBJMSA-N
MW314.38 g/mol
LogP4.86
Rot. Bonds3

About (1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol

(1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol (PubChem CID 122223894) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol
PubChem CID122223894
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol
SMILESO[C@H]1c2ccccc2C=C[C@H]1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18O2/c23-22-20-9-5-4-8-18(20)12-15-21(22)24-19-13-10-17(11-14-19)16-6-2-1-3-7-16/h1-15,21-23H/t21-,22+/m1/s1
InChIKeyDHUMTEJZJMIXFZ-YADHBBJMSA-N
XLogP4.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol
CID 172810005
1-[4-[[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]phenyl]ethanone
CID 11277473
(1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol
CID 101270860
(1R,2R)-2-prop-2-enoxy-1,2-dihydronaphthalen-1-ol
CID 11195024
[(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate
CID 71048250
(1R,2S)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 13056069
(1R,2R)-2-amino-1,2-dihydronaphthalen-1-ol;hydrochloride
CID 71310849
hydron;1H-inden-1-ol
CID 174812636
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
(1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol
CID 131848736
trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol
CID 102735461
(1R,2R)-2-methoxy-N-phenyl-1,2-dihydronaphthalen-1-amine
CID 59041093

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol (CID 122223894) is (1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol is O[C@H]1c2ccccc2C=C[C@H]1Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol?
The InChIKey is DHUMTEJZJMIXFZ-YADHBBJMSA-N. The full InChI is InChI=1S/C22H18O2/c23-22-20-9-5-4-8-18(20)12-15-21(22)24-19-13-10-17(11-14-19)16-6-2-1-3-7-16/h1-15,21-23H/t21-,22+/m1/s1.
What are the key properties of (1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol?
(1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol has a molecular weight of 314.38 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 122223894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).