1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one

C12H14O2 — CID 68964542

IUPAC1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one
SMILESCC12C=CC(=O)C(C)(O)C1=CC=CC2
InChIInChI=1S/C12H14O2/c1-11-7-4-3-5-9(11)12(2,14)10(13)6-8-11/h3-6,8,14H,7H2,1-2H3
InChIKeySGZAHXOATWCZFS-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.77
Rot. Bonds

About 1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one

1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one (PubChem CID 68964542) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one.

Molecular Properties

Compound Name1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one
PubChem CID68964542
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one
SMILESCC12C=CC(=O)C(C)(O)C1=CC=CC2
InChIInChI=1S/C12H14O2/c1-11-7-4-3-5-9(11)12(2,14)10(13)6-8-11/h3-6,8,14H,7H2,1-2H3
InChIKeySGZAHXOATWCZFS-UHFFFAOYSA-N
XLogP1.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one?
The IUPAC name of 1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one (CID 68964542) is 1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one.
What is the SMILES notation for 1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one?
The canonical SMILES for 1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one is CC12C=CC(=O)C(C)(O)C1=CC=CC2.
What is the InChIKey of 1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one?
The InChIKey is SGZAHXOATWCZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-11-7-4-3-5-9(11)12(2,14)10(13)6-8-11/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one?
1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one has a molecular weight of 190.24 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,4a-dimethyl-5H-naphthalen-2-one is sourced from PubChem (CID 68964542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).