1-(5-methylnaphthalen-1-yl)propan-2-one

C14H14O — CID 59096635

IUPAC1-(5-methylnaphthalen-1-yl)propan-2-one
SMILESCC(=O)Cc1cccc2c(C)cccc12
InChIInChI=1S/C14H14O/c1-10-5-3-8-14-12(9-11(2)15)6-4-7-13(10)14/h3-8H,9H2,1-2H3
InChIKeyXHCYABNWZNZLAR-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.28
Rot. Bonds2

About 1-(5-methylnaphthalen-1-yl)propan-2-one

1-(5-methylnaphthalen-1-yl)propan-2-one (PubChem CID 59096635) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(5-methylnaphthalen-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-methylnaphthalen-1-yl)propan-2-one
PubChem CID59096635
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-(5-methylnaphthalen-1-yl)propan-2-one
SMILESCC(=O)Cc1cccc2c(C)cccc12
InChIInChI=1S/C14H14O/c1-10-5-3-8-14-12(9-11(2)15)6-4-7-13(10)14/h3-8H,9H2,1-2H3
InChIKeyXHCYABNWZNZLAR-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-oxopropyl)naphthalene-1-carboxylic acid
CID 174847527
1-(2-chloro-3-methylphenyl)propan-2-one
CID 67126230
1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one
CID 69366475
2-methyl-6-(2-oxopropyl)benzaldehyde
CID 130792355
1-(3-methyl-1H-indol-7-yl)propan-2-one
CID 117205247
1-(bromomethyl)-5-methylnaphthalene
CID 15657418
1,5-dimethylnaphthalene
CID 162159355
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid
CID 134620938
ethyl 2-methyl-6-(2-oxopropyl)benzoate
CID 134632319
carbonic acid;1-methylnaphthalene
CID 66808059
1-[3-(chloromethyl)-2-methoxyphenyl]propan-2-one
CID 118843525

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylnaphthalen-1-yl)propan-2-one?
The IUPAC name of 1-(5-methylnaphthalen-1-yl)propan-2-one (CID 59096635) is 1-(5-methylnaphthalen-1-yl)propan-2-one.
What is the SMILES notation for 1-(5-methylnaphthalen-1-yl)propan-2-one?
The canonical SMILES for 1-(5-methylnaphthalen-1-yl)propan-2-one is CC(=O)Cc1cccc2c(C)cccc12.
What is the InChIKey of 1-(5-methylnaphthalen-1-yl)propan-2-one?
The InChIKey is XHCYABNWZNZLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-10-5-3-8-14-12(9-11(2)15)6-4-7-13(10)14/h3-8H,9H2,1-2H3.
What are the key properties of 1-(5-methylnaphthalen-1-yl)propan-2-one?
1-(5-methylnaphthalen-1-yl)propan-2-one has a molecular weight of 198.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylnaphthalen-1-yl)propan-2-one is sourced from PubChem (CID 59096635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).