3-methyl-1H-naphthalen-2-one;molecular hydrogen

C11H12O — CID 145302214

IUPAC3-methyl-1H-naphthalen-2-one;molecular hydrogen
SMILESCC1=Cc2ccccc2CC1=O.[H][H]
InChIInChI=1S/C11H10O.H2/c1-8-6-9-4-2-3-5-10(9)7-11(8)12;/h2-6H,7H2,1H3;1H
InChIKeyHOXORSGSXXMMKP-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.46
Rot. Bonds

About 3-methyl-1H-naphthalen-2-one;molecular hydrogen

3-methyl-1H-naphthalen-2-one;molecular hydrogen (PubChem CID 145302214) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-methyl-1H-naphthalen-2-one;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-1H-naphthalen-2-one;molecular hydrogen
PubChem CID145302214
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name3-methyl-1H-naphthalen-2-one;molecular hydrogen
SMILESCC1=Cc2ccccc2CC1=O.[H][H]
InChIInChI=1S/C11H10O.H2/c1-8-6-9-4-2-3-5-10(9)7-11(8)12;/h2-6H,7H2,1H3;1H
InChIKeyHOXORSGSXXMMKP-UHFFFAOYSA-N
XLogP2.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methyl-1H-indene;titanium(3+);trichloride
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1-(1,3-dioxolan-2-ylmethyl)-3-methylquinolin-2-one;3-methyl-1H-naphthalen-2-one
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6,7-dimethyl-9H-benzo[7]annulene
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3-methyl-1,4-dihydrobenzo[f]indol-2-one
CID 141000317
CID 143131255
CID 143131255
2-methylselanyl-1H-indene
CID 11041997
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
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1-(1H-inden-2-yl)-N-methylmethanamine
CID 22593771
1H-inden-2-ylsilane
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-naphthalen-2-one;molecular hydrogen?
The IUPAC name of 3-methyl-1H-naphthalen-2-one;molecular hydrogen (CID 145302214) is 3-methyl-1H-naphthalen-2-one;molecular hydrogen.
What is the SMILES notation for 3-methyl-1H-naphthalen-2-one;molecular hydrogen?
The canonical SMILES for 3-methyl-1H-naphthalen-2-one;molecular hydrogen is CC1=Cc2ccccc2CC1=O.[H][H].
What is the InChIKey of 3-methyl-1H-naphthalen-2-one;molecular hydrogen?
The InChIKey is HOXORSGSXXMMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O.H2/c1-8-6-9-4-2-3-5-10(9)7-11(8)12;/h2-6H,7H2,1H3;1H.
What are the key properties of 3-methyl-1H-naphthalen-2-one;molecular hydrogen?
3-methyl-1H-naphthalen-2-one;molecular hydrogen has a molecular weight of 160.22 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-naphthalen-2-one;molecular hydrogen is sourced from PubChem (CID 145302214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).