2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one

C11H12O2 — CID 14120939

IUPAC2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
SMILESCC1(O)CCc2ccccc2C1=O
InChIInChI=1S/C11H12O2/c1-11(13)7-6-8-4-2-3-5-9(8)10(11)12/h2-5,13H,6-7H2,1H3
InChIKeyHAMPENXKJTUEGY-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.57
Rot. Bonds

About 2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one

2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one (PubChem CID 14120939) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
PubChem CID14120939
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
SMILESCC1(O)CCc2ccccc2C1=O
InChIInChI=1S/C11H12O2/c1-11(13)7-6-8-4-2-3-5-9(8)10(11)12/h2-5,13H,6-7H2,1H3
InChIKeyHAMPENXKJTUEGY-UHFFFAOYSA-N
XLogP1.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one (CID 14120939) is 2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one is CC1(O)CCc2ccccc2C1=O.
What is the InChIKey of 2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one?
The InChIKey is HAMPENXKJTUEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-11(13)7-6-8-4-2-3-5-9(8)10(11)12/h2-5,13H,6-7H2,1H3.
What are the key properties of 2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one?
2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one has a molecular weight of 176.22 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 14120939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).