(2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one

C17H16O2 — CID 102176753

IUPAC(2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one
SMILESO=C1c2ccccc2CC[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C17H16O2/c18-16-15-9-5-4-8-14(15)10-11-17(16,19)12-13-6-2-1-3-7-13/h1-9,19H,10-12H2/t17-/m1/s1
InChIKeyKIMBDSCWSZGJRZ-QGZVFWFLSA-N
MW252.31 g/mol
LogP2.79
Rot. Bonds2

About (2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one

(2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one (PubChem CID 102176753) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one
PubChem CID102176753
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one
SMILESO=C1c2ccccc2CC[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C17H16O2/c18-16-15-9-5-4-8-14(15)10-11-17(16,19)12-13-6-2-1-3-7-13/h1-9,19H,10-12H2/t17-/m1/s1
InChIKeyKIMBDSCWSZGJRZ-QGZVFWFLSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-1-oxo-1H-phenalene-3-acetic acid
CID 164086
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one (CID 102176753) is (2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one is O=C1c2ccccc2CC[C@@]1(O)Cc1ccccc1.
What is the InChIKey of (2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one?
The InChIKey is KIMBDSCWSZGJRZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16O2/c18-16-15-9-5-4-8-14(15)10-11-17(16,19)12-13-6-2-1-3-7-13/h1-9,19H,10-12H2/t17-/m1/s1.
What are the key properties of (2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one?
(2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one has a molecular weight of 252.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-2-hydroxy-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 102176753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).