8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one

C11H12O2 — CID 130036440

IUPAC8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CC(=O)c2c(O)cccc2C1
InChIInChI=1S/C11H12O2/c1-7-5-8-3-2-4-9(12)11(8)10(13)6-7/h2-4,7,12H,5-6H2,1H3
InChIKeyZTQOIDSGZDUGJX-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.16
Rot. Bonds

About 8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one

8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 130036440) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID130036440
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CC(=O)c2c(O)cccc2C1
InChIInChI=1S/C11H12O2/c1-7-5-8-3-2-4-9(12)11(8)10(13)6-7/h2-4,7,12H,5-6H2,1H3
InChIKeyZTQOIDSGZDUGJX-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 130036440) is 8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one is CC1CC(=O)c2c(O)cccc2C1.
What is the InChIKey of 8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ZTQOIDSGZDUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-7-5-8-3-2-4-9(12)11(8)10(13)6-7/h2-4,7,12H,5-6H2,1H3.
What are the key properties of 8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one?
8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 176.22 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 130036440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).