4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one

C12H14ClNO2 — CID 19734623

IUPAC4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one
SMILESCC1(C)C(=O)c2ccc(Cl)cc2C(N)C1O
InChIInChI=1S/C12H14ClNO2/c1-12(2)10(15)7-4-3-6(13)5-8(7)9(14)11(12)16/h3-5,9,11,16H,14H2,1-2H3
InChIKeyYPJBDDJVQVZGGV-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.92
Rot. Bonds

About 4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one

4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one (PubChem CID 19734623) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one
PubChem CID19734623
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one
SMILESCC1(C)C(=O)c2ccc(Cl)cc2C(N)C1O
InChIInChI=1S/C12H14ClNO2/c1-12(2)10(15)7-4-3-6(13)5-8(7)9(14)11(12)16/h3-5,9,11,16H,14H2,1-2H3
InChIKeyYPJBDDJVQVZGGV-UHFFFAOYSA-N
XLogP1.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one (CID 19734623) is 4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one is CC1(C)C(=O)c2ccc(Cl)cc2C(N)C1O.
What is the InChIKey of 4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one?
The InChIKey is YPJBDDJVQVZGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-12(2)10(15)7-4-3-6(13)5-8(7)9(14)11(12)16/h3-5,9,11,16H,14H2,1-2H3.
What are the key properties of 4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one?
4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one has a molecular weight of 239.70 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 19734623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).