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

C12H13ClO — CID 166610621

IUPAC7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one
SMILESCC1(C)CCc2ccc(Cl)cc2C1=O
InChIInChI=1S/C12H13ClO/c1-12(2)6-5-8-3-4-9(13)7-10(8)11(12)14/h3-4,7H,5-6H2,1-2H3
InChIKeyPUDUHOFSZIDPSK-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.50
Rot. Bonds

About 7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one

7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one (PubChem CID 166610621) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one
PubChem CID166610621
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one
SMILESCC1(C)CCc2ccc(Cl)cc2C1=O
InChIInChI=1S/C12H13ClO/c1-12(2)6-5-8-3-4-9(13)7-10(8)11(12)14/h3-4,7H,5-6H2,1-2H3
InChIKeyPUDUHOFSZIDPSK-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one (CID 166610621) is 7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one is CC1(C)CCc2ccc(Cl)cc2C1=O.
What is the InChIKey of 7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one?
The InChIKey is PUDUHOFSZIDPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c1-12(2)6-5-8-3-4-9(13)7-10(8)11(12)14/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one?
7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one has a molecular weight of 208.69 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 166610621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).