(1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol

C16H13BrO2 — CID 172810005

IUPAC(1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol
SMILESO[C@H]1c2ccccc2C=C[C@@H]1Oc1ccc(Br)cc1
InChIInChI=1S/C16H13BrO2/c17-12-6-8-13(9-7-12)19-15-10-5-11-3-1-2-4-14(11)16(15)18/h1-10,15-16,18H/t15-,16-/m0/s1
InChIKeySASFZAFXKVHJPR-HOTGVXAUSA-N
MW317.18 g/mol
LogP3.96
Rot. Bonds2

About (1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol

(1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol (PubChem CID 172810005) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is (1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol
PubChem CID172810005
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Name(1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol
SMILESO[C@H]1c2ccccc2C=C[C@@H]1Oc1ccc(Br)cc1
InChIInChI=1S/C16H13BrO2/c17-12-6-8-13(9-7-12)19-15-10-5-11-3-1-2-4-14(11)16(15)18/h1-10,15-16,18H/t15-,16-/m0/s1
InChIKeySASFZAFXKVHJPR-HOTGVXAUSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-(4-phenylphenoxy)-1,2-dihydronaphthalen-1-ol
CID 122223894
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-methyl-1,2-dihydronaphthalen-1-ol
CID 11252162
(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
1H-inden-1-amine
CID 14298803

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol (CID 172810005) is (1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol is O[C@H]1c2ccccc2C=C[C@@H]1Oc1ccc(Br)cc1.
What is the InChIKey of (1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol?
The InChIKey is SASFZAFXKVHJPR-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H13BrO2/c17-12-6-8-13(9-7-12)19-15-10-5-11-3-1-2-4-14(11)16(15)18/h1-10,15-16,18H/t15-,16-/m0/s1.
What are the key properties of (1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol?
(1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol has a molecular weight of 317.18 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(4-bromophenoxy)-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 172810005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).