(4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one

C10H10O2 — CID 11240662

IUPAC(4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC[C@H](O)c2ccccc21
InChIInChI=1S/C10H10O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-4,9,11H,5-6H2/t9-/m0/s1
InChIKeyBGPJTIXJFAGUIF-VIFPVBQESA-N
MW162.19 g/mol
LogP1.70
Rot. Bonds

About (4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one

(4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11240662) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11240662
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC[C@H](O)c2ccccc21
InChIInChI=1S/C10H10O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-4,9,11H,5-6H2/t9-/m0/s1
InChIKeyBGPJTIXJFAGUIF-VIFPVBQESA-N
XLogP1.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one (CID 11240662) is (4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one is O=C1CC[C@H](O)c2ccccc21.
What is the InChIKey of (4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is BGPJTIXJFAGUIF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-4,9,11H,5-6H2/t9-/m0/s1.
What are the key properties of (4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
(4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 162.19 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11240662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).