2,2-dimethyl-3,4-dihydronaphthalen-1-one

C12H14O — CID 10921017

IUPAC2,2-dimethyl-3,4-dihydronaphthalen-1-one
SMILESCC1(C)CCc2ccccc2C1=O
InChIInChI=1S/C12H14O/c1-12(2)8-7-9-5-3-4-6-10(9)11(12)13/h3-6H,7-8H2,1-2H3
InChIKeyXNTNPKXCRBTDTR-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.84
Rot. Bonds

About 2,2-dimethyl-3,4-dihydronaphthalen-1-one

2,2-dimethyl-3,4-dihydronaphthalen-1-one (PubChem CID 10921017) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydronaphthalen-1-one
PubChem CID10921017
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2,2-dimethyl-3,4-dihydronaphthalen-1-one
SMILESCC1(C)CCc2ccccc2C1=O
InChIInChI=1S/C12H14O/c1-12(2)8-7-9-5-3-4-6-10(9)11(12)13/h3-6H,7-8H2,1-2H3
InChIKeyXNTNPKXCRBTDTR-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2,2-dimethyl-3,4-dihydronaphthalen-1-one (CID 10921017) is 2,2-dimethyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2,2-dimethyl-3,4-dihydronaphthalen-1-one is CC1(C)CCc2ccccc2C1=O.
What is the InChIKey of 2,2-dimethyl-3,4-dihydronaphthalen-1-one?
The InChIKey is XNTNPKXCRBTDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-12(2)8-7-9-5-3-4-6-10(9)11(12)13/h3-6H,7-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydronaphthalen-1-one?
2,2-dimethyl-3,4-dihydronaphthalen-1-one has a molecular weight of 174.24 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 10921017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).