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

C16H14O2 — CID 131848736

IUPAC(1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol
SMILESOc1ccc([C@@H]2C=Cc3ccccc3[C@@H]2O)cc1
InChIInChI=1S/C16H14O2/c17-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)16(15)18/h1-10,15-18H/t15-,16-/m0/s1
InChIKeyZBOWHRZQBQBODJ-HOTGVXAUSA-N
MW238.29 g/mol
LogP3.24
Rot. Bonds1

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

(1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol (PubChem CID 131848736) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol
PubChem CID131848736
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol
SMILESOc1ccc([C@@H]2C=Cc3ccccc3[C@@H]2O)cc1
InChIInChI=1S/C16H14O2/c17-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)16(15)18/h1-10,15-18H/t15-,16-/m0/s1
InChIKeyZBOWHRZQBQBODJ-HOTGVXAUSA-N
XLogP3.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol (CID 131848736) is (1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol is Oc1ccc([C@@H]2C=Cc3ccccc3[C@@H]2O)cc1.
What is the InChIKey of (1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol?
The InChIKey is ZBOWHRZQBQBODJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H14O2/c17-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)16(15)18/h1-10,15-18H/t15-,16-/m0/s1.
What are the key properties of (1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol?
(1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol has a molecular weight of 238.29 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 131848736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).